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9e2cc617-ff4b-4491-9b6f-5ead9ef971c1/bd_run_out.log\n\n2024-05-28 09:13:27,840 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:13:27,841 [MainThread  ] [INFO ]  Removed: [&amp;#x27;/tmp/biobb/unitests_60/bd_run/9e2cc617-ff4b-4491-9b6f-5ead9ef971c1&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/bd_run/bd_run_out.crd\nChecking if empty file: /tmp/biobb/unitests_60/bd_run/bd_run_out.log\nComparing: \n        File_A: /tmp/biobb/unitests_60/bd_run/bd_run_out.crd\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/flexserv/bd_run_out.crd\n        File_A hash: b&amp;quot;\\x10\\xd4&amp;amp;\\x05\\t\\xb3\\xde))\\x88:5&amp;#x27;$\\xfa\\xe0a\\x91^\\x1f\\xa9\\x95\\xe4\\\\\\xc2k\\x1d\\xb1\\xff\\x02\\x1f\\x8f&amp;quot;\n        File_B hash: b&amp;quot;\\x10\\xd4&amp;amp;\\x05\\t\\xb3\\xde))\\x88:5&amp;#x27;$\\xfa\\xe0a\\x91^\\x1f\\xa9\\x95\\xe4\\\\\\xc2k\\x1d\\xb1\\xff\\x02\\x1f\\x8f&amp;quot;\nComparing: \n        File_A: /tmp/biobb/unitests_60/bd_run/bd_run_out.log\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/flexserv/bd_run_out.log\n        File_A hash: b&amp;#x27;u\\xef4\\x02\\x8c\\xdb\\x92S\\x18\\n\\xa2N6\\xb5\\xf2{\\xb7\\x96RED\\xe7[\\xdd\\xd3\\xa1\\xcb\\x06\\xb91\\xfb\\x80&amp;#x27;\n        File_B hash: b&amp;#x27;u\\xef4\\x02\\x8c\\xdb\\x92S\\x18\\n\\xa2N6\\xb5\\xf2{\\xb7\\x96RED\\xe7[\\xdd\\xd3\\xa1\\xcb\\x06\\xb91\\xfb\\x80&amp;#x27;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/bd_run/bd_run_log.out:file_utils.py:391 Executing biobb_flexserv.flexserv.bd_run Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/bd_run/bd_run_log.out:file_utils.py:391 Copy: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/data/flexserv/structure.ca.pdb to /tmp/biobb/unitests_60/bd_run/9e2cc617-ff4b-4491-9b6f-5ead9ef971c1\nINFO     /tmp/biobb/unitests_60/bd_run/bd_run_log.out:cmd_wrapper.py:33 bd 9e2cc617-ff4b-4491-9b6f-5ead9ef971c1/structure.ca.pdb 10000 1e-15 100 40 3.8 9e2cc617-ff4b-4491-9b6f-5ead9ef971c1/bd_run_out.crd &amp;gt; 9e2cc617-ff4b-4491-9b6f-5ead9ef971c1/bd_run_out.log\n\nINFO     /tmp/biobb/unitests_60/bd_run/bd_run_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/bd_run/bd_run_log.out:file_utils.py:391 Removed: [&amp;#x27;/tmp/biobb/unitests_60/bd_run/9e2cc617-ff4b-4491-9b6f-5ead9ef971c1&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_flexserv/test_dmd_run.py::TestDMDRun::test_dmd_run&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_flexserv/test_dmd_run.py::TestDMDRun::test_dmd_run&#34;, &#34;duration&#34;: &#34;372 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_flexserv/test_dmd_run.py::TestDMDRun::test_dmd_run&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;372 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:13:27,885 [MainThread  ] [INFO ]  Executing biobb_flexserv.flexserv.dmd_run Version: 4.2.0\n2024-05-28 09:13:27,885 [MainThread  ] [INFO ]  Copy: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/data/flexserv/structure.ca.pdb to /tmp/biobb/unitests_60/dmd_run/05c6644d-f84f-4247-8c34-a85a134aa7b0\n2024-05-28 09:13:27,885 [MainThread  ] [INFO ]  dmdgoopt &amp;lt; /tmp/biobb/unitests_60/dmd_run/05c6644d-f84f-4247-8c34-a85a134aa7b0/dmd.in &amp;gt; 05c6644d-f84f-4247-8c34-a85a134aa7b0/dmd_run_out.log\n\n2024-05-28 09:13:28,227 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:13:28,228 [MainThread  ] [INFO ]  Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG\n\n2024-05-28 09:13:28,228 [MainThread  ] [INFO ]  Removed: [&amp;#x27;/tmp/biobb/unitests_60/dmd_run/05c6644d-f84f-4247-8c34-a85a134aa7b0&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/dmd_run/dmd_run_out.crd\nComparing: \n        File_A: /tmp/biobb/unitests_60/dmd_run/dmd_run_out.crd\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/flexserv/dmd_run_out.crd\n        File_A hash: b&amp;#x27;\\xb4Q\\xf2\\xe0H\\xbe\\xeb\\xe4Gl\\xf7m\\x97N\\xec\\x8b\\xfa\\\\j\\xdd\\x1c\\xc2\\x95W1J\\xf8\\x9c\\xebW\\xd5\\xf5&amp;#x27;\n        File_B hash: b&amp;#x27;\\xb4Q\\xf2\\xe0H\\xbe\\xeb\\xe4Gl\\xf7m\\x97N\\xec\\x8b\\xfa\\\\j\\xdd\\x1c\\xc2\\x95W1J\\xf8\\x9c\\xebW\\xd5\\xf5&amp;#x27;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/dmd_run/dmd_run_log.out:file_utils.py:391 Executing biobb_flexserv.flexserv.dmd_run Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/dmd_run/dmd_run_log.out:file_utils.py:391 Copy: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/data/flexserv/structure.ca.pdb to /tmp/biobb/unitests_60/dmd_run/05c6644d-f84f-4247-8c34-a85a134aa7b0\nINFO     /tmp/biobb/unitests_60/dmd_run/dmd_run_log.out:cmd_wrapper.py:33 dmdgoopt &amp;lt; /tmp/biobb/unitests_60/dmd_run/05c6644d-f84f-4247-8c34-a85a134aa7b0/dmd.in &amp;gt; 05c6644d-f84f-4247-8c34-a85a134aa7b0/dmd_run_out.log\n\nINFO     /tmp/biobb/unitests_60/dmd_run/dmd_run_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/dmd_run/dmd_run_log.err:cmd_wrapper.py:60 Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG\n\nINFO     /tmp/biobb/unitests_60/dmd_run/dmd_run_log.out:file_utils.py:391 Removed: [&amp;#x27;/tmp/biobb/unitests_60/dmd_run/05c6644d-f84f-4247-8c34-a85a134aa7b0&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_flexserv/test_nma_run.py::TestNMARun::test_nma_run&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_flexserv/test_nma_run.py::TestNMARun::test_nma_run&#34;, &#34;duration&#34;: &#34;766 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_flexserv/test_nma_run.py::TestNMARun::test_nma_run&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;766 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:13:28,254 [MainThread  ] [INFO ]  Executing biobb_flexserv.flexserv.nma_run Version: 4.2.0\n2024-05-28 09:13:28,254 [MainThread  ] [INFO ]  Copy: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/data/flexserv/structure.ca.pdb to /tmp/biobb/unitests_60/nma_run/9c219e56-3314-4954-a837-9049081ff8be\n2024-05-28 09:13:28,254 [MainThread  ] [INFO ]  perl  /home/user/micromamba/envs/test_environment/bin/nmanu.pl 9c219e56-3314-4954-a837-9049081ff8be/structure.ca.pdb hessian.dat 1 0 40; diaghess ; perl /home/user/micromamba/envs/test_environment/bin/mc-eigen-mdweb.pl eigenvec.dat  100  &amp;gt; file.proj ; perl /home/user/micromamba/envs/test_environment/bin/pca_anim_mc.pl -pdb 9c219e56-3314-4954-a837-9049081ff8be/structure.ca.pdb  -evec eigenvec.dat -i file.proj -n  50  -pout 9c219e56-3314-4954-a837-9049081ff8be/nma_run_out.crd &amp;gt; 9c219e56-3314-4954-a837-9049081ff8be/nma_run_out.log\n\n2024-05-28 09:13:28,994 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:13:28,994 [MainThread  ] [INFO ]  Number of interactions 3570\nNumber of non-zero elements 32640\nMatrix trace 8651.23364900726\nThe dimension:    255\nreturn info from dsyev:      0\nptraj based evectors in: eigenvec.dat        \n\n2024-05-28 09:13:28,994 [MainThread  ] [INFO ]  Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL\n\n2024-05-28 09:13:28,995 [MainThread  ] [INFO ]  Removed: [&amp;#x27;/tmp/biobb/unitests_60/nma_run/9c219e56-3314-4954-a837-9049081ff8be&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/nma_run/nma_run_out.crd\nComparing: \n        File_A: /tmp/biobb/unitests_60/nma_run/nma_run_out.crd\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/flexserv/nma_run_out.crd\n        File_A hash: b&amp;#x27;\\x8cVl\\xedI\\xb9N\\xffd\\xce[\\xda\\xb7hsF+\\xf7\\xb7Q\\\\\\x1c\\xd6#R\\x95n{\\xfa\\xc2\\xbc\\xd6&amp;#x27;\n        File_B hash: b&amp;#x27;\\x8cVl\\xedI\\xb9N\\xffd\\xce[\\xda\\xb7hsF+\\xf7\\xb7Q\\\\\\x1c\\xd6#R\\x95n{\\xfa\\xc2\\xbc\\xd6&amp;#x27;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/nma_run/nma_run_log.out:file_utils.py:391 Executing biobb_flexserv.flexserv.nma_run Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/nma_run/nma_run_log.out:file_utils.py:391 Copy: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/data/flexserv/structure.ca.pdb to /tmp/biobb/unitests_60/nma_run/9c219e56-3314-4954-a837-9049081ff8be\nINFO     /tmp/biobb/unitests_60/nma_run/nma_run_log.out:cmd_wrapper.py:33 perl  /home/user/micromamba/envs/test_environment/bin/nmanu.pl 9c219e56-3314-4954-a837-9049081ff8be/structure.ca.pdb hessian.dat 1 0 40; diaghess ; perl /home/user/micromamba/envs/test_environment/bin/mc-eigen-mdweb.pl eigenvec.dat  100  &amp;gt; file.proj ; perl /home/user/micromamba/envs/test_environment/bin/pca_anim_mc.pl -pdb 9c219e56-3314-4954-a837-9049081ff8be/structure.ca.pdb  -evec eigenvec.dat -i file.proj -n  50  -pout 9c219e56-3314-4954-a837-9049081ff8be/nma_run_out.crd &amp;gt; 9c219e56-3314-4954-a837-9049081ff8be/nma_run_out.log\n\nINFO     /tmp/biobb/unitests_60/nma_run/nma_run_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/nma_run/nma_run_log.out:cmd_wrapper.py:52 Number of interactions 3570\nNumber of non-zero elements 32640\nMatrix trace 8651.23364900726\nThe dimension:    255\nreturn info from dsyev:      0\nptraj based evectors in: eigenvec.dat        \n\nINFO     /tmp/biobb/unitests_60/nma_run/nma_run_log.err:cmd_wrapper.py:60 Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL\n\nINFO     /tmp/biobb/unitests_60/nma_run/nma_run_log.out:file_utils.py:391 Removed: [&amp;#x27;/tmp/biobb/unitests_60/nma_run/9c219e56-3314-4954-a837-9049081ff8be&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcaunzip.py::TestPCZunzip::test_pczunzip&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcaunzip.py::TestPCZunzip::test_pczunzip&#34;, &#34;duration&#34;: &#34;127 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcaunzip.py::TestPCZunzip::test_pczunzip&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;127 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:13:29,020 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_unzip Version: 4.2.0\n2024-05-28 09:13:29,021 [MainThread  ] [INFO ]  Creating 15f0c542-135c-427e-b85a-d0c9fa157ddc temporary folder\n2024-05-28 09:13:29,021 [MainThread  ] [INFO ]  cd 15f0c542-135c-427e-b85a-d0c9fa157ddc ; pcaunzip -i pcazip.pcz -o pcazip.crd\n\n2024-05-28 09:13:29,113 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:13:29,113 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\n\n2024-05-28 09:13:29,115 [MainThread  ] [INFO ]  Removed: [&amp;#x27;15f0c542-135c-427e-b85a-d0c9fa157ddc&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_unzip/pcazip.crd\nComparing: \n        File_A: /tmp/biobb/unitests_60/pcz_unzip/pcazip.crd\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/pcazip.crd\n        File_A hash: b&amp;#x27;6\\x80\\x81\\xbc\\x91(\\xb2n\\x8a\\xdf\\x90\\xa0\\xdcB\\xe4\\xb9\\x01\\x08V*\\x84\\xf9\\xcbD\\xc4\\xc8u\\xc7\\xed\\xf5o\\x0c&amp;#x27;\n        File_B hash: b&amp;#x27;6\\x80\\x81\\xbc\\x91(\\xb2n\\x8a\\xdf\\x90\\xa0\\xdcB\\xe4\\xb9\\x01\\x08V*\\x84\\xf9\\xcbD\\xc4\\xc8u\\xc7\\xed\\xf5o\\x0c&amp;#x27;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_unzip/pcz_unzip_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_unzip Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_unzip/pcz_unzip_log.out:file_utils.py:391 Creating 15f0c542-135c-427e-b85a-d0c9fa157ddc temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_unzip/pcz_unzip_log.out:cmd_wrapper.py:33 cd 15f0c542-135c-427e-b85a-d0c9fa157ddc ; pcaunzip -i pcazip.pcz -o pcazip.crd\n\nINFO     /tmp/biobb/unitests_60/pcz_unzip/pcz_unzip_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_unzip/pcz_unzip_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_unzip/pcz_unzip_log.out:file_utils.py:391 Removed: [&amp;#x27;15f0c542-135c-427e-b85a-d0c9fa157ddc&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcazip.py::TestPCZzip::test_pczzip&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcazip.py::TestPCZzip::test_pczzip&#34;, &#34;duration&#34;: &#34;127 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcazip.py::TestPCZzip::test_pczzip&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;127 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:13:29,149 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_zip Version: 4.2.0\n2024-05-28 09:13:29,149 [MainThread  ] [INFO ]  Creating 56491d21-b4e7-42b7-962c-e12d2a186fae temporary folder\n2024-05-28 09:13:29,151 [MainThread  ] [INFO ]  cd 56491d21-b4e7-42b7-962c-e12d2a186fae ; pcazip -p structure.ca.pdb -i traj.crd -o pcazip.pcz -q 90\n\n2024-05-28 09:13:29,253 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:13:29,253 [MainThread  ] [INFO ]  Removed: [&amp;#x27;56491d21-b4e7-42b7-962c-e12d2a186fae&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_zip/pcazip.pcz\nComparing: \n        File_A: /tmp/biobb/unitests_60/pcz_zip/pcazip.pcz\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/pcazip.pcz\n        File_A hash: b&amp;#x27;`!\\x1b,o\\r\\x84/\\xa8Mh\\xc4\\xfem\\xee)\\xb2{\\xa1\\xb1\\x80\\xcc\\xaf\\x80\\xcf^\\\\\\x01D\\xfe:\\xf9&amp;#x27;\n        File_B hash: b&amp;#x27;`!\\x1b,o\\r\\x84/\\xa8Mh\\xc4\\xfem\\xee)\\xb2{\\xa1\\xb1\\x80\\xcc\\xaf\\x80\\xcf^\\\\\\x01D\\xfe:\\xf9&amp;#x27;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_zip/pcz_zip_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_zip Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_zip/pcz_zip_log.out:file_utils.py:391 Creating 56491d21-b4e7-42b7-962c-e12d2a186fae temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_zip/pcz_zip_log.out:cmd_wrapper.py:33 cd 56491d21-b4e7-42b7-962c-e12d2a186fae ; pcazip -p structure.ca.pdb -i traj.crd -o pcazip.pcz -q 90\n\nINFO     /tmp/biobb/unitests_60/pcz_zip/pcz_zip_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_zip/pcz_zip_log.out:file_utils.py:391 Removed: [&amp;#x27;56491d21-b4e7-42b7-962c-e12d2a186fae&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_animate.py::TestPCZanimate::test_pcz_animate&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_animate.py::TestPCZanimate::test_pcz_animate&#34;, &#34;duration&#34;: &#34;141 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_animate.py::TestPCZanimate::test_pcz_animate&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;141 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:13:29,277 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_animate Version: 4.2.0\n2024-05-28 09:13:29,277 [MainThread  ] [INFO ]  Creating f0a1b44a-7ed7-4548-a018-2d6b233bf0dc temporary folder\n2024-05-28 09:13:29,277 [MainThread  ] [INFO ]  cd f0a1b44a-7ed7-4548-a018-2d6b233bf0dc ; pczdump -i pcazip.pcz -o pcazip_anim1.pdb --anim=1 --pdb\n\n2024-05-28 09:13:29,285 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:13:29,285 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\n\n2024-05-28 09:13:29,285 [MainThread  ] [INFO ]  Removed: [&amp;#x27;f0a1b44a-7ed7-4548-a018-2d6b233bf0dc&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_animate/pcazip_anim1.pdb\nChecking RMSD between:\n     PDB_A: /tmp/biobb/unitests_60/pcz_animate/pcazip_anim1.pdb\n     PDB_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/pcazip_anim1.pdb\n     Ignoring HETAMT in RMSD\n     Ignoring Hydrogen atoms in RMSD\n     Atoms ALIGNED in PDB_A: 85\n     Atoms ALIGNED in PDB_B: 85\n     RMS: 7.911547607468411e-15\n     RMS_CUTOFF: 1\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_animate/pcz_animate_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_animate Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_animate/pcz_animate_log.out:file_utils.py:391 Creating f0a1b44a-7ed7-4548-a018-2d6b233bf0dc temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_animate/pcz_animate_log.out:cmd_wrapper.py:33 cd f0a1b44a-7ed7-4548-a018-2d6b233bf0dc ; pczdump -i pcazip.pcz -o pcazip_anim1.pdb --anim=1 --pdb\n\nINFO     /tmp/biobb/unitests_60/pcz_animate/pcz_animate_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_animate/pcz_animate_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_animate/pcz_animate_log.out:file_utils.py:391 Removed: [&amp;#x27;f0a1b44a-7ed7-4548-a018-2d6b233bf0dc&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_bfactor.py::TestPCZbfactor::test_pcz_bfactor&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_bfactor.py::TestPCZbfactor::test_pcz_bfactor&#34;, &#34;duration&#34;: &#34;64 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_bfactor.py::TestPCZbfactor::test_pcz_bfactor&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;64 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:13:29,419 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_bfactor Version: 4.2.0\n2024-05-28 09:13:29,419 [MainThread  ] [INFO ]  Creating f54d63a1-51ff-4458-bebc-e8a0f87efba0 temporary folder\n2024-05-28 09:13:29,419 [MainThread  ] [INFO ]  cd f54d63a1-51ff-4458-bebc-e8a0f87efba0 ; pczdump -i pcazip.pcz -o bfactors.dat --bfactor --fluc=1\n\n2024-05-28 09:13:29,425 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:13:29,425 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\n\n2024-05-28 09:13:29,425 [MainThread  ] [INFO ]  cd f54d63a1-51ff-4458-bebc-e8a0f87efba0 ; pczdump -i pcazip.pcz -o bfactors.pdb --bfactor --fluc=1 --pdb\n\n2024-05-28 09:13:29,432 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:13:29,432 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\n\n2024-05-28 09:13:29,432 [MainThread  ] [INFO ]  Removed: [&amp;#x27;f54d63a1-51ff-4458-bebc-e8a0f87efba0&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_bfactor/bfactors.dat\nChecking if empty file: /tmp/biobb/unitests_60/pcz_bfactor/bfactors.pdb\nComparing: \n        File_A: /tmp/biobb/unitests_60/pcz_bfactor/bfactors.dat\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/bfactors.dat\n        File_A hash: b&amp;#x27;\\xc2\\x1aC\\xb6\\xce\\xa5&amp;amp;G\\x9b\\xec\\xb3\\xebM!\\xcd\\xa3\\x1d\\x86\\x96\\xed\\xc0 o\\xdc+\\x97-\\xc3\\x19\\x14\\xd0U&amp;#x27;\n        File_B hash: b&amp;#x27;\\xc2\\x1aC\\xb6\\xce\\xa5&amp;amp;G\\x9b\\xec\\xb3\\xebM!\\xcd\\xa3\\x1d\\x86\\x96\\xed\\xc0 o\\xdc+\\x97-\\xc3\\x19\\x14\\xd0U&amp;#x27;\nChecking RMSD between:\n     PDB_A: /tmp/biobb/unitests_60/pcz_bfactor/bfactors.pdb\n     PDB_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/bfactors.pdb\n     Ignoring HETAMT in RMSD\n     Ignoring Hydrogen atoms in RMSD\n     Atoms ALIGNED in PDB_A: 85\n     Atoms ALIGNED in PDB_B: 85\n     RMS: 7.911547607468411e-15\n     RMS_CUTOFF: 1\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_bfactor/pcz_bfactor_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_bfactor Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_bfactor/pcz_bfactor_log.out:file_utils.py:391 Creating f54d63a1-51ff-4458-bebc-e8a0f87efba0 temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_bfactor/pcz_bfactor_log.out:cmd_wrapper.py:33 cd f54d63a1-51ff-4458-bebc-e8a0f87efba0 ; pczdump -i pcazip.pcz -o bfactors.dat --bfactor --fluc=1\n\nINFO     /tmp/biobb/unitests_60/pcz_bfactor/pcz_bfactor_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_bfactor/pcz_bfactor_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_bfactor/pcz_bfactor_log.out:cmd_wrapper.py:33 cd f54d63a1-51ff-4458-bebc-e8a0f87efba0 ; pczdump -i pcazip.pcz -o bfactors.pdb --bfactor --fluc=1 --pdb\n\nINFO     /tmp/biobb/unitests_60/pcz_bfactor/pcz_bfactor_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_bfactor/pcz_bfactor_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_bfactor/pcz_bfactor_log.out:file_utils.py:391 Removed: [&amp;#x27;f54d63a1-51ff-4458-bebc-e8a0f87efba0&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_collectivity.py::TestPCZcollectivity::test_pcz_collectivity&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_collectivity.py::TestPCZcollectivity::test_pcz_collectivity&#34;, &#34;duration&#34;: &#34;29 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_collectivity.py::TestPCZcollectivity::test_pcz_collectivity&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;29 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:13:29,484 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_collectivity Version: 4.2.0\n2024-05-28 09:13:29,484 [MainThread  ] [INFO ]  Creating 15c92e58-a69d-4a29-82bb-5bfb30ef76f8 temporary folder\n2024-05-28 09:13:29,484 [MainThread  ] [INFO ]  cd 15c92e58-a69d-4a29-82bb-5bfb30ef76f8 ; pczdump -i pcazip.pcz -o output.dat --collectivity=0\n\n2024-05-28 09:13:29,491 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:13:29,491 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\n\n2024-05-28 09:13:29,492 [MainThread  ] [INFO ]  Removed: [&amp;#x27;15c92e58-a69d-4a29-82bb-5bfb30ef76f8&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_collectivity/pcz_collectivity.json\nComparing: \n        File_A: /tmp/biobb/unitests_60/pcz_collectivity/pcz_collectivity.json\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/pcz_collectivity.json\n        File_A hash: b&amp;quot;\\xc94A\\xec1\\xf4.\\xedV&amp;#x27;\\x90J\\x7fK\\xc8\\xdd\\xdc\\xa4*\\x1fs\\xe4\\x1d\\x83\\x1d\\x16\\xd7\\x1a\\x84\\x9a\\xe3Z&amp;quot;\n        File_B hash: b&amp;quot;\\xc94A\\xec1\\xf4.\\xedV&amp;#x27;\\x90J\\x7fK\\xc8\\xdd\\xdc\\xa4*\\x1fs\\xe4\\x1d\\x83\\x1d\\x16\\xd7\\x1a\\x84\\x9a\\xe3Z&amp;quot;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_collectivity/pcz_collectivity_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_collectivity Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_collectivity/pcz_collectivity_log.out:file_utils.py:391 Creating 15c92e58-a69d-4a29-82bb-5bfb30ef76f8 temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_collectivity/pcz_collectivity_log.out:cmd_wrapper.py:33 cd 15c92e58-a69d-4a29-82bb-5bfb30ef76f8 ; pczdump -i pcazip.pcz -o output.dat --collectivity=0\n\nINFO     /tmp/biobb/unitests_60/pcz_collectivity/pcz_collectivity_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_collectivity/pcz_collectivity_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_collectivity/pcz_collectivity_log.out:file_utils.py:391 Removed: [&amp;#x27;15c92e58-a69d-4a29-82bb-5bfb30ef76f8&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_evecs.py::TestPCZevecs::test_pcz_evecs&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_evecs.py::TestPCZevecs::test_pcz_evecs&#34;, &#34;duration&#34;: &#34;29 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_evecs.py::TestPCZevecs::test_pcz_evecs&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;29 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:13:29,515 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_evecs Version: 4.2.0\n2024-05-28 09:13:29,515 [MainThread  ] [INFO ]  Creating 1e24587b-9d64-4c88-a96c-0250477cfd59 temporary folder\n2024-05-28 09:13:29,515 [MainThread  ] [INFO ]  cd 1e24587b-9d64-4c88-a96c-0250477cfd59 ; pczdump -i pcazip.pcz -o output.dat --evec=1\n\n2024-05-28 09:13:29,521 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:13:29,521 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\n\n2024-05-28 09:13:29,522 [MainThread  ] [INFO ]  Removed: [&amp;#x27;1e24587b-9d64-4c88-a96c-0250477cfd59&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_evecs/pcz_evecs.json\nComparing: \n        File_A: /tmp/biobb/unitests_60/pcz_evecs/pcz_evecs.json\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/pcz_evecs.json\n        File_A hash: b&amp;#x27;YK\\x9b\\x1a&amp;lt;\\x1b\\xfc\\x9b\\xaf\\x02#\\x82\\x83\\x8dY\\x94\\xa4\\xfb\\xfe\\x86\\x81\\xe25\\x00\\x99\\x8e!2\\xd3\\x17\\x13\\x87&amp;#x27;\n        File_B hash: b&amp;#x27;YK\\x9b\\x1a&amp;lt;\\x1b\\xfc\\x9b\\xaf\\x02#\\x82\\x83\\x8dY\\x94\\xa4\\xfb\\xfe\\x86\\x81\\xe25\\x00\\x99\\x8e!2\\xd3\\x17\\x13\\x87&amp;#x27;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_evecs/pcz_evecs_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_evecs Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_evecs/pcz_evecs_log.out:file_utils.py:391 Creating 1e24587b-9d64-4c88-a96c-0250477cfd59 temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_evecs/pcz_evecs_log.out:cmd_wrapper.py:33 cd 1e24587b-9d64-4c88-a96c-0250477cfd59 ; pczdump -i pcazip.pcz -o output.dat --evec=1\n\nINFO     /tmp/biobb/unitests_60/pcz_evecs/pcz_evecs_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_evecs/pcz_evecs_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_evecs/pcz_evecs_log.out:file_utils.py:391 Removed: [&amp;#x27;1e24587b-9d64-4c88-a96c-0250477cfd59&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_hinges.py::TestPCZhinges::test_pcz_hinges&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_hinges.py::TestPCZhinges::test_pcz_hinges&#34;, &#34;duration&#34;: &#34;263 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_hinges.py::TestPCZhinges::test_pcz_hinges&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;263 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:13:29,545 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_hinges Version: 4.2.0\n2024-05-28 09:13:29,545 [MainThread  ] [INFO ]  Creating af9195ba-d8c6-41a8-8216-60a2d2fb6acc temporary folder\n2024-05-28 09:13:29,546 [MainThread  ] [INFO ]  cd af9195ba-d8c6-41a8-8216-60a2d2fb6acc ; pczdump -i pcazip.pcz -o output.dat -t 0.3 --hinge=0 &amp;gt;&amp;amp; output.log\n\n2024-05-28 09:13:29,786 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:13:29,786 [MainThread  ] [INFO ]  Removed: [&amp;#x27;af9195ba-d8c6-41a8-8216-60a2d2fb6acc&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_hinges/hinges.json\nComparing: \n        File_A: /tmp/biobb/unitests_60/pcz_hinges/hinges.json\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/hinges.json\n        File_A hash: b&amp;#x27;\\xcd\\x013\\xb1T\\x89\\rB\\xfaq\\xa8\\xc4\\xf6\\x95\\x19\\x04\\xc6m0\\xb1\\xe3\\xaa\\xd6\\xc6D/\\xb5\\x0e\\xe3\\xe2\\xb1;&amp;#x27;\n        File_B hash: b&amp;#x27;\\xcd\\x013\\xb1T\\x89\\rB\\xfaq\\xa8\\xc4\\xf6\\x95\\x19\\x04\\xc6m0\\xb1\\xe3\\xaa\\xd6\\xc6D/\\xb5\\x0e\\xe3\\xe2\\xb1;&amp;#x27;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_hinges/pcz_hinges_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_hinges Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_hinges/pcz_hinges_log.out:file_utils.py:391 Creating af9195ba-d8c6-41a8-8216-60a2d2fb6acc temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_hinges/pcz_hinges_log.out:cmd_wrapper.py:33 cd af9195ba-d8c6-41a8-8216-60a2d2fb6acc ; pczdump -i pcazip.pcz -o output.dat -t 0.3 --hinge=0 &amp;gt;&amp;amp; output.log\n\nINFO     /tmp/biobb/unitests_60/pcz_hinges/pcz_hinges_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_hinges/pcz_hinges_log.out:file_utils.py:391 Removed: [&amp;#x27;af9195ba-d8c6-41a8-8216-60a2d2fb6acc&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_info.py::TestPCZinfo::test_pcz_info&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_info.py::TestPCZinfo::test_pcz_info&#34;, &#34;duration&#34;: &#34;33 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_info.py::TestPCZinfo::test_pcz_info&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;33 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:13:29,809 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_info Version: 4.2.0\n2024-05-28 09:13:29,809 [MainThread  ] [INFO ]  Creating 5d93eb70-8d0f-4f59-b108-51d643616dfc temporary folder\n2024-05-28 09:13:29,809 [MainThread  ] [INFO ]  cd 5d93eb70-8d0f-4f59-b108-51d643616dfc ; pczdump -i pcazip.pcz -o output1.dat --info ; pczdump -i pcazip.pcz -o output2.dat --evals\n\n2024-05-28 09:13:29,819 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:13:29,820 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\n\n2024-05-28 09:13:29,820 [MainThread  ] [INFO ]  Removed: [&amp;#x27;5d93eb70-8d0f-4f59-b108-51d643616dfc&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_info/pcz.json\nComparing: \n        File_A: /tmp/biobb/unitests_60/pcz_info/pcz.json\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/pcz_info.json\n        File_A hash: b&amp;quot;]\\xf5$\\x87\\x84r\\x15\\xe7-\\x83v.\\xc0x\\xb6|\\xd6\\x8b\\x1dj\\xb3\\xb5[y\\x17&amp;#x27;\\xd9\\xebW&amp;lt;\\xa5%&amp;quot;\n        File_B hash: b&amp;quot;]\\xf5$\\x87\\x84r\\x15\\xe7-\\x83v.\\xc0x\\xb6|\\xd6\\x8b\\x1dj\\xb3\\xb5[y\\x17&amp;#x27;\\xd9\\xebW&amp;lt;\\xa5%&amp;quot;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_info/pcz_info_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_info Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_info/pcz_info_log.out:file_utils.py:391 Creating 5d93eb70-8d0f-4f59-b108-51d643616dfc temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_info/pcz_info_log.out:cmd_wrapper.py:33 cd 5d93eb70-8d0f-4f59-b108-51d643616dfc ; pczdump -i pcazip.pcz -o output1.dat --info ; pczdump -i pcazip.pcz -o output2.dat --evals\n\nINFO     /tmp/biobb/unitests_60/pcz_info/pcz_info_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_info/pcz_info_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_info/pcz_info_log.out:file_utils.py:391 Removed: [&amp;#x27;5d93eb70-8d0f-4f59-b108-51d643616dfc&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_lindemann.py::TestPCZlindemann::test_pcz_lindemann&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_lindemann.py::TestPCZlindemann::test_pcz_lindemann&#34;, &#34;duration&#34;: &#34;54 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_lindemann.py::TestPCZlindemann::test_pcz_lindemann&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;54 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:13:29,843 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_lindemann Version: 4.2.0\n2024-05-28 09:13:29,843 [MainThread  ] [INFO ]  Creating 854b4169-a1c1-46e1-bf01-71f01c4020aa temporary folder\n2024-05-28 09:13:29,843 [MainThread  ] [INFO ]  cd 854b4169-a1c1-46e1-bf01-71f01c4020aa ; pczdump -i pcazip.pcz -o output.dat --lindemann\n\n2024-05-28 09:13:29,875 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:13:29,875 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\n\n2024-05-28 09:13:29,875 [MainThread  ] [INFO ]  Removed: [&amp;#x27;854b4169-a1c1-46e1-bf01-71f01c4020aa&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_lindemann/pcz_lindemann.json\nComparing: \n        File_A: /tmp/biobb/unitests_60/pcz_lindemann/pcz_lindemann.json\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/pcz_lindemann.json\n        File_A hash: b&amp;#x27;\\xf7\\x17x\\x10\\x99\\xe2\\xf8,\\xba\\xc0\\x10\\xea\\xca\\xcb\\x0e\\xb5)b\\xe2\\x8drFr\\xce\\xdd\\x88\\xcf\\xcdh\\xf6v\\xb3&amp;#x27;\n        File_B hash: b&amp;#x27;\\xf7\\x17x\\x10\\x99\\xe2\\xf8,\\xba\\xc0\\x10\\xea\\xca\\xcb\\x0e\\xb5)b\\xe2\\x8drFr\\xce\\xdd\\x88\\xcf\\xcdh\\xf6v\\xb3&amp;#x27;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_lindemann/pcz_lindemann_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_lindemann Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_lindemann/pcz_lindemann_log.out:file_utils.py:391 Creating 854b4169-a1c1-46e1-bf01-71f01c4020aa temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_lindemann/pcz_lindemann_log.out:cmd_wrapper.py:33 cd 854b4169-a1c1-46e1-bf01-71f01c4020aa ; pczdump -i pcazip.pcz -o output.dat --lindemann\n\nINFO     /tmp/biobb/unitests_60/pcz_lindemann/pcz_lindemann_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_lindemann/pcz_lindemann_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_lindemann/pcz_lindemann_log.out:file_utils.py:391 Removed: [&amp;#x27;854b4169-a1c1-46e1-bf01-71f01c4020aa&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_similarity.py::TestPCZsimilarity::test_pcz_similarity&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_similarity.py::TestPCZsimilarity::test_pcz_similarity&#34;, &#34;duration&#34;: &#34;116 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_similarity.py::TestPCZsimilarity::test_pcz_similarity&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;116 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:13:29,898 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_similarity Version: 4.2.0\n2024-05-28 09:13:29,898 [MainThread  ] [INFO ]  Creating 0b06d889-b73d-4630-91bf-a544fa6f1fc5 temporary folder\n2024-05-28 09:13:29,899 [MainThread  ] [INFO ]  cd 0b06d889-b73d-4630-91bf-a544fa6f1fc5 ; pczdump -i pcazip.pcz -o output1.dat --evals ; pczdump -i pcazip.pcz -o output2.dat --evals\n\n2024-05-28 09:13:29,909 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:13:29,909 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\n\n2024-05-28 09:13:29,910 [MainThread  ] [INFO ]  cd 0b06d889-b73d-4630-91bf-a544fa6f1fc5 ; pczdump -i pcazip.pcz -o evecs_1_pc1 --evec=1 ; pczdump -i pcazip.pcz -o evecs_2_pc1 --evec=1 ; pczdump -i pcazip.pcz -o evecs_1_pc2 --evec=2 ; pczdump -i pcazip.pcz -o evecs_2_pc2 --evec=2 ; pczdump -i pcazip.pcz -o evecs_1_pc3 --evec=3 ; pczdump -i pcazip.pcz -o evecs_2_pc3 --evec=3 ; pczdump -i pcazip.pcz -o evecs_1_pc4 --evec=4 ; pczdump -i pcazip.pcz -o evecs_2_pc4 --evec=4 ; pczdump -i pcazip.pcz -o evecs_1_pc5 --evec=5 ; pczdump -i pcazip.pcz -o evecs_2_pc5 --evec=5 ; pczdump -i pcazip.pcz -o evecs_1_pc6 --evec=6 ; pczdump -i pcazip.pcz -o evecs_2_pc6 --evec=6 ; pczdump -i pcazip.pcz -o evecs_1_pc7 --evec=7 ; pczdump -i pcazip.pcz -o evecs_2_pc7 --evec=7 ;\n\n2024-05-28 09:13:29,976 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:13:29,976 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\n\n2024-05-28 09:13:29,992 [MainThread  ] [INFO ]  Removed: [&amp;#x27;0b06d889-b73d-4630-91bf-a544fa6f1fc5&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity.json\nComparing: \n        File_A: /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity.json\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/pcz_similarity.json\n        File_A hash: b&amp;#x27;k\\xf1\\xa8kZ_\\rzn\\xa9\\xca\\xe6/\\xcf\\xff:\\x80\\x0bEn\\xd0,\\x92\\xeaN\\xfb\\x8d\\x8a\\xdcB\\xe5\\xff&amp;#x27;\n        File_B hash: b&amp;#x27;k\\xf1\\xa8kZ_\\rzn\\xa9\\xca\\xe6/\\xcf\\xff:\\x80\\x0bEn\\xd0,\\x92\\xeaN\\xfb\\x8d\\x8a\\xdcB\\xe5\\xff&amp;#x27;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_similarity Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity_log.out:file_utils.py:391 Creating 0b06d889-b73d-4630-91bf-a544fa6f1fc5 temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity_log.out:cmd_wrapper.py:33 cd 0b06d889-b73d-4630-91bf-a544fa6f1fc5 ; pczdump -i pcazip.pcz -o output1.dat --evals ; pczdump -i pcazip.pcz -o output2.dat --evals\n\nINFO     /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity_log.out:cmd_wrapper.py:33 cd 0b06d889-b73d-4630-91bf-a544fa6f1fc5 ; pczdump -i pcazip.pcz -o evecs_1_pc1 --evec=1 ; pczdump -i pcazip.pcz -o evecs_2_pc1 --evec=1 ; pczdump -i pcazip.pcz -o evecs_1_pc2 --evec=2 ; pczdump -i pcazip.pcz -o evecs_2_pc2 --evec=2 ; pczdump -i pcazip.pcz -o evecs_1_pc3 --evec=3 ; pczdump -i pcazip.pcz -o evecs_2_pc3 --evec=3 ; pczdump -i pcazip.pcz -o evecs_1_pc4 --evec=4 ; pczdump -i pcazip.pcz -o evecs_2_pc4 --evec=4 ; pczdump -i pcazip.pcz -o evecs_1_pc5 --evec=5 ; pczdump -i pcazip.pcz -o evecs_2_pc5 --evec=5 ; pczdump -i pcazip.pcz -o evecs_1_pc6 --evec=6 ; pczdump -i pcazip.pcz -o evecs_2_pc6 --evec=6 ; pczdump -i pcazip.pcz -o evecs_1_pc7 --evec=7 ; pczdump -i pcazip.pcz -o evecs_2_pc7 --evec=7 ;\n\nINFO     /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity_log.out:file_utils.py:391 Removed: [&amp;#x27;0b06d889-b73d-4630-91bf-a544fa6f1fc5&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_stiffness.py::TestPCZstiffness::test_pcz_stiffness&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_stiffness.py::TestPCZstiffness::test_pcz_stiffness&#34;, &#34;duration&#34;: &#34;149 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_stiffness.py::TestPCZstiffness::test_pcz_stiffness&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;149 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:13:30,016 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_stiffness Version: 4.2.0\n2024-05-28 09:13:30,016 [MainThread  ] [INFO ]  Creating dcb391ed-f492-44e1-89d7-97bb13c1ad43 temporary folder\n2024-05-28 09:13:30,016 [MainThread  ] [INFO ]  cd dcb391ed-f492-44e1-89d7-97bb13c1ad43 ; pczdump -i pcazip.pcz -o output.dat --stiff=0 --temperature=300\n\n2024-05-28 09:13:30,103 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:13:30,103 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\n\n2024-05-28 09:13:30,142 [MainThread  ] [INFO ]  Removed: [&amp;#x27;dcb391ed-f492-44e1-89d7-97bb13c1ad43&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_stiffness/pcz_stiffness.json\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_stiffness/pcz_stiffness_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_stiffness Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_stiffness/pcz_stiffness_log.out:file_utils.py:391 Creating dcb391ed-f492-44e1-89d7-97bb13c1ad43 temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_stiffness/pcz_stiffness_log.out:cmd_wrapper.py:33 cd dcb391ed-f492-44e1-89d7-97bb13c1ad43 ; pczdump -i pcazip.pcz -o output.dat --stiff=0 --temperature=300\n\nINFO     /tmp/biobb/unitests_60/pcz_stiffness/pcz_stiffness_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_stiffness/pcz_stiffness_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_stiffness/pcz_stiffness_log.out:file_utils.py:391 Removed: [&amp;#x27;dcb391ed-f492-44e1-89d7-97bb13c1ad43&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}]}, &#34;renderCollapsed&#34;: [&#34;passed&#34;], &#34;initialSort&#34;: &#34;result&#34;, &#34;title&#34;: &#34;report.html&#34;}"></div>
+    <div id="data-container" data-jsonblob="{&#34;environment&#34;: {&#34;Python&#34;: &#34;3.8.19&#34;, &#34;Platform&#34;: &#34;Linux-5.4.0-159-generic-x86_64-with-glibc2.10&#34;, &#34;Packages&#34;: {&#34;pytest&#34;: &#34;8.2.1&#34;, &#34;pluggy&#34;: &#34;1.5.0&#34;}, &#34;Plugins&#34;: {&#34;metadata&#34;: &#34;3.1.1&#34;, &#34;html&#34;: &#34;4.1.1&#34;, &#34;cov&#34;: &#34;5.0.0&#34;}, &#34;CI&#34;: &#34;true&#34;}, &#34;tests&#34;: {&#34;biobb_flexserv/test/unitests/test_flexserv/test_bd_run.py::TestBDRun::test_bd_run&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_flexserv/test_bd_run.py::TestBDRun::test_bd_run&#34;, &#34;duration&#34;: &#34;497 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_flexserv/test_bd_run.py::TestBDRun::test_bd_run&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;497 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:15:04,980 [MainThread  ] [INFO ]  Executing biobb_flexserv.flexserv.bd_run Version: 4.2.0\n2024-05-28 09:15:04,980 [MainThread  ] [INFO ]  Copy: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/data/flexserv/structure.ca.pdb to /tmp/biobb/unitests_60/bd_run/1f660dc1-1bf2-4cd2-b229-8c7dd666de3e\n2024-05-28 09:15:04,981 [MainThread  ] [INFO ]  bd 1f660dc1-1bf2-4cd2-b229-8c7dd666de3e/structure.ca.pdb 10000 1e-15 100 40 3.8 1f660dc1-1bf2-4cd2-b229-8c7dd666de3e/bd_run_out.crd &amp;gt; 1f660dc1-1bf2-4cd2-b229-8c7dd666de3e/bd_run_out.log\n\n2024-05-28 09:15:05,446 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:15:05,448 [MainThread  ] [INFO ]  Removed: [&amp;#x27;/tmp/biobb/unitests_60/bd_run/1f660dc1-1bf2-4cd2-b229-8c7dd666de3e&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/bd_run/bd_run_out.crd\nChecking if empty file: /tmp/biobb/unitests_60/bd_run/bd_run_out.log\nComparing: \n        File_A: /tmp/biobb/unitests_60/bd_run/bd_run_out.crd\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/flexserv/bd_run_out.crd\n        File_A hash: b&amp;quot;\\x10\\xd4&amp;amp;\\x05\\t\\xb3\\xde))\\x88:5&amp;#x27;$\\xfa\\xe0a\\x91^\\x1f\\xa9\\x95\\xe4\\\\\\xc2k\\x1d\\xb1\\xff\\x02\\x1f\\x8f&amp;quot;\n        File_B hash: b&amp;quot;\\x10\\xd4&amp;amp;\\x05\\t\\xb3\\xde))\\x88:5&amp;#x27;$\\xfa\\xe0a\\x91^\\x1f\\xa9\\x95\\xe4\\\\\\xc2k\\x1d\\xb1\\xff\\x02\\x1f\\x8f&amp;quot;\nComparing: \n        File_A: /tmp/biobb/unitests_60/bd_run/bd_run_out.log\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/flexserv/bd_run_out.log\n        File_A hash: b&amp;#x27;u\\xef4\\x02\\x8c\\xdb\\x92S\\x18\\n\\xa2N6\\xb5\\xf2{\\xb7\\x96RED\\xe7[\\xdd\\xd3\\xa1\\xcb\\x06\\xb91\\xfb\\x80&amp;#x27;\n        File_B hash: b&amp;#x27;u\\xef4\\x02\\x8c\\xdb\\x92S\\x18\\n\\xa2N6\\xb5\\xf2{\\xb7\\x96RED\\xe7[\\xdd\\xd3\\xa1\\xcb\\x06\\xb91\\xfb\\x80&amp;#x27;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/bd_run/bd_run_log.out:file_utils.py:391 Executing biobb_flexserv.flexserv.bd_run Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/bd_run/bd_run_log.out:file_utils.py:391 Copy: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/data/flexserv/structure.ca.pdb to /tmp/biobb/unitests_60/bd_run/1f660dc1-1bf2-4cd2-b229-8c7dd666de3e\nINFO     /tmp/biobb/unitests_60/bd_run/bd_run_log.out:cmd_wrapper.py:33 bd 1f660dc1-1bf2-4cd2-b229-8c7dd666de3e/structure.ca.pdb 10000 1e-15 100 40 3.8 1f660dc1-1bf2-4cd2-b229-8c7dd666de3e/bd_run_out.crd &amp;gt; 1f660dc1-1bf2-4cd2-b229-8c7dd666de3e/bd_run_out.log\n\nINFO     /tmp/biobb/unitests_60/bd_run/bd_run_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/bd_run/bd_run_log.out:file_utils.py:391 Removed: [&amp;#x27;/tmp/biobb/unitests_60/bd_run/1f660dc1-1bf2-4cd2-b229-8c7dd666de3e&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_flexserv/test_dmd_run.py::TestDMDRun::test_dmd_run&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_flexserv/test_dmd_run.py::TestDMDRun::test_dmd_run&#34;, &#34;duration&#34;: &#34;365 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_flexserv/test_dmd_run.py::TestDMDRun::test_dmd_run&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;365 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:15:05,498 [MainThread  ] [INFO ]  Executing biobb_flexserv.flexserv.dmd_run Version: 4.2.0\n2024-05-28 09:15:05,498 [MainThread  ] [INFO ]  Copy: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/data/flexserv/structure.ca.pdb to /tmp/biobb/unitests_60/dmd_run/d37459c8-2eaa-4f1e-be90-73a7fa8501d4\n2024-05-28 09:15:05,498 [MainThread  ] [INFO ]  dmdgoopt &amp;lt; /tmp/biobb/unitests_60/dmd_run/d37459c8-2eaa-4f1e-be90-73a7fa8501d4/dmd.in &amp;gt; d37459c8-2eaa-4f1e-be90-73a7fa8501d4/dmd_run_out.log\n\n2024-05-28 09:15:05,836 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:15:05,836 [MainThread  ] [INFO ]  Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG\n\n2024-05-28 09:15:05,837 [MainThread  ] [INFO ]  Removed: [&amp;#x27;/tmp/biobb/unitests_60/dmd_run/d37459c8-2eaa-4f1e-be90-73a7fa8501d4&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/dmd_run/dmd_run_out.crd\nComparing: \n        File_A: /tmp/biobb/unitests_60/dmd_run/dmd_run_out.crd\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/flexserv/dmd_run_out.crd\n        File_A hash: b&amp;#x27;\\xb4Q\\xf2\\xe0H\\xbe\\xeb\\xe4Gl\\xf7m\\x97N\\xec\\x8b\\xfa\\\\j\\xdd\\x1c\\xc2\\x95W1J\\xf8\\x9c\\xebW\\xd5\\xf5&amp;#x27;\n        File_B hash: b&amp;#x27;\\xb4Q\\xf2\\xe0H\\xbe\\xeb\\xe4Gl\\xf7m\\x97N\\xec\\x8b\\xfa\\\\j\\xdd\\x1c\\xc2\\x95W1J\\xf8\\x9c\\xebW\\xd5\\xf5&amp;#x27;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/dmd_run/dmd_run_log.out:file_utils.py:391 Executing biobb_flexserv.flexserv.dmd_run Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/dmd_run/dmd_run_log.out:file_utils.py:391 Copy: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/data/flexserv/structure.ca.pdb to /tmp/biobb/unitests_60/dmd_run/d37459c8-2eaa-4f1e-be90-73a7fa8501d4\nINFO     /tmp/biobb/unitests_60/dmd_run/dmd_run_log.out:cmd_wrapper.py:33 dmdgoopt &amp;lt; /tmp/biobb/unitests_60/dmd_run/d37459c8-2eaa-4f1e-be90-73a7fa8501d4/dmd.in &amp;gt; d37459c8-2eaa-4f1e-be90-73a7fa8501d4/dmd_run_out.log\n\nINFO     /tmp/biobb/unitests_60/dmd_run/dmd_run_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/dmd_run/dmd_run_log.err:cmd_wrapper.py:60 Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG\n\nINFO     /tmp/biobb/unitests_60/dmd_run/dmd_run_log.out:file_utils.py:391 Removed: [&amp;#x27;/tmp/biobb/unitests_60/dmd_run/d37459c8-2eaa-4f1e-be90-73a7fa8501d4&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_flexserv/test_nma_run.py::TestNMARun::test_nma_run&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_flexserv/test_nma_run.py::TestNMARun::test_nma_run&#34;, &#34;duration&#34;: &#34;771 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_flexserv/test_nma_run.py::TestNMARun::test_nma_run&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;771 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:15:05,864 [MainThread  ] [INFO ]  Executing biobb_flexserv.flexserv.nma_run Version: 4.2.0\n2024-05-28 09:15:05,864 [MainThread  ] [INFO ]  Copy: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/data/flexserv/structure.ca.pdb to /tmp/biobb/unitests_60/nma_run/ad10ff31-c3a9-4219-95d8-dc8a1608bb5b\n2024-05-28 09:15:05,864 [MainThread  ] [INFO ]  perl  /home/user/micromamba/envs/test_environment/bin/nmanu.pl ad10ff31-c3a9-4219-95d8-dc8a1608bb5b/structure.ca.pdb hessian.dat 1 0 40; diaghess ; perl /home/user/micromamba/envs/test_environment/bin/mc-eigen-mdweb.pl eigenvec.dat  100  &amp;gt; file.proj ; perl /home/user/micromamba/envs/test_environment/bin/pca_anim_mc.pl -pdb ad10ff31-c3a9-4219-95d8-dc8a1608bb5b/structure.ca.pdb  -evec eigenvec.dat -i file.proj -n  50  -pout ad10ff31-c3a9-4219-95d8-dc8a1608bb5b/nma_run_out.crd &amp;gt; ad10ff31-c3a9-4219-95d8-dc8a1608bb5b/nma_run_out.log\n\n2024-05-28 09:15:06,609 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:15:06,609 [MainThread  ] [INFO ]  Number of interactions 3570\nNumber of non-zero elements 32640\nMatrix trace 8651.23364900726\nThe dimension:    255\nreturn info from dsyev:      0\nptraj based evectors in: eigenvec.dat        \n\n2024-05-28 09:15:06,609 [MainThread  ] [INFO ]  Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL\n\n2024-05-28 09:15:06,610 [MainThread  ] [INFO ]  Removed: [&amp;#x27;/tmp/biobb/unitests_60/nma_run/ad10ff31-c3a9-4219-95d8-dc8a1608bb5b&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/nma_run/nma_run_out.crd\nComparing: \n        File_A: /tmp/biobb/unitests_60/nma_run/nma_run_out.crd\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/flexserv/nma_run_out.crd\n        File_A hash: b&amp;#x27;\\x8cVl\\xedI\\xb9N\\xffd\\xce[\\xda\\xb7hsF+\\xf7\\xb7Q\\\\\\x1c\\xd6#R\\x95n{\\xfa\\xc2\\xbc\\xd6&amp;#x27;\n        File_B hash: b&amp;#x27;\\x8cVl\\xedI\\xb9N\\xffd\\xce[\\xda\\xb7hsF+\\xf7\\xb7Q\\\\\\x1c\\xd6#R\\x95n{\\xfa\\xc2\\xbc\\xd6&amp;#x27;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/nma_run/nma_run_log.out:file_utils.py:391 Executing biobb_flexserv.flexserv.nma_run Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/nma_run/nma_run_log.out:file_utils.py:391 Copy: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/data/flexserv/structure.ca.pdb to /tmp/biobb/unitests_60/nma_run/ad10ff31-c3a9-4219-95d8-dc8a1608bb5b\nINFO     /tmp/biobb/unitests_60/nma_run/nma_run_log.out:cmd_wrapper.py:33 perl  /home/user/micromamba/envs/test_environment/bin/nmanu.pl ad10ff31-c3a9-4219-95d8-dc8a1608bb5b/structure.ca.pdb hessian.dat 1 0 40; diaghess ; perl /home/user/micromamba/envs/test_environment/bin/mc-eigen-mdweb.pl eigenvec.dat  100  &amp;gt; file.proj ; perl /home/user/micromamba/envs/test_environment/bin/pca_anim_mc.pl -pdb ad10ff31-c3a9-4219-95d8-dc8a1608bb5b/structure.ca.pdb  -evec eigenvec.dat -i file.proj -n  50  -pout ad10ff31-c3a9-4219-95d8-dc8a1608bb5b/nma_run_out.crd &amp;gt; ad10ff31-c3a9-4219-95d8-dc8a1608bb5b/nma_run_out.log\n\nINFO     /tmp/biobb/unitests_60/nma_run/nma_run_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/nma_run/nma_run_log.out:cmd_wrapper.py:52 Number of interactions 3570\nNumber of non-zero elements 32640\nMatrix trace 8651.23364900726\nThe dimension:    255\nreturn info from dsyev:      0\nptraj based evectors in: eigenvec.dat        \n\nINFO     /tmp/biobb/unitests_60/nma_run/nma_run_log.err:cmd_wrapper.py:60 Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL\n\nINFO     /tmp/biobb/unitests_60/nma_run/nma_run_log.out:file_utils.py:391 Removed: [&amp;#x27;/tmp/biobb/unitests_60/nma_run/ad10ff31-c3a9-4219-95d8-dc8a1608bb5b&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcaunzip.py::TestPCZunzip::test_pczunzip&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcaunzip.py::TestPCZunzip::test_pczunzip&#34;, &#34;duration&#34;: &#34;130 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcaunzip.py::TestPCZunzip::test_pczunzip&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;130 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:15:06,637 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_unzip Version: 4.2.0\n2024-05-28 09:15:06,637 [MainThread  ] [INFO ]  Creating b3768c26-9f54-4ee3-87ce-95ed9ee191f6 temporary folder\n2024-05-28 09:15:06,637 [MainThread  ] [INFO ]  cd b3768c26-9f54-4ee3-87ce-95ed9ee191f6 ; pcaunzip -i pcazip.pcz -o pcazip.crd\n\n2024-05-28 09:15:06,731 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:15:06,731 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\n\n2024-05-28 09:15:06,733 [MainThread  ] [INFO ]  Removed: [&amp;#x27;b3768c26-9f54-4ee3-87ce-95ed9ee191f6&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_unzip/pcazip.crd\nComparing: \n        File_A: /tmp/biobb/unitests_60/pcz_unzip/pcazip.crd\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/pcazip.crd\n        File_A hash: b&amp;#x27;6\\x80\\x81\\xbc\\x91(\\xb2n\\x8a\\xdf\\x90\\xa0\\xdcB\\xe4\\xb9\\x01\\x08V*\\x84\\xf9\\xcbD\\xc4\\xc8u\\xc7\\xed\\xf5o\\x0c&amp;#x27;\n        File_B hash: b&amp;#x27;6\\x80\\x81\\xbc\\x91(\\xb2n\\x8a\\xdf\\x90\\xa0\\xdcB\\xe4\\xb9\\x01\\x08V*\\x84\\xf9\\xcbD\\xc4\\xc8u\\xc7\\xed\\xf5o\\x0c&amp;#x27;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_unzip/pcz_unzip_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_unzip Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_unzip/pcz_unzip_log.out:file_utils.py:391 Creating b3768c26-9f54-4ee3-87ce-95ed9ee191f6 temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_unzip/pcz_unzip_log.out:cmd_wrapper.py:33 cd b3768c26-9f54-4ee3-87ce-95ed9ee191f6 ; pcaunzip -i pcazip.pcz -o pcazip.crd\n\nINFO     /tmp/biobb/unitests_60/pcz_unzip/pcz_unzip_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_unzip/pcz_unzip_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_unzip/pcz_unzip_log.out:file_utils.py:391 Removed: [&amp;#x27;b3768c26-9f54-4ee3-87ce-95ed9ee191f6&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcazip.py::TestPCZzip::test_pczzip&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcazip.py::TestPCZzip::test_pczzip&#34;, &#34;duration&#34;: &#34;130 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcazip.py::TestPCZzip::test_pczzip&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;130 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:15:06,769 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_zip Version: 4.2.0\n2024-05-28 09:15:06,769 [MainThread  ] [INFO ]  Creating 8a3588c4-42e9-4e4c-b966-c920a1eb4786 temporary folder\n2024-05-28 09:15:06,771 [MainThread  ] [INFO ]  cd 8a3588c4-42e9-4e4c-b966-c920a1eb4786 ; pcazip -p structure.ca.pdb -i traj.crd -o pcazip.pcz -q 90\n\n2024-05-28 09:15:06,875 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:15:06,876 [MainThread  ] [INFO ]  Removed: [&amp;#x27;8a3588c4-42e9-4e4c-b966-c920a1eb4786&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_zip/pcazip.pcz\nComparing: \n        File_A: /tmp/biobb/unitests_60/pcz_zip/pcazip.pcz\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/pcazip.pcz\n        File_A hash: b&amp;#x27;`!\\x1b,o\\r\\x84/\\xa8Mh\\xc4\\xfem\\xee)\\xb2{\\xa1\\xb1\\x80\\xcc\\xaf\\x80\\xcf^\\\\\\x01D\\xfe:\\xf9&amp;#x27;\n        File_B hash: b&amp;#x27;`!\\x1b,o\\r\\x84/\\xa8Mh\\xc4\\xfem\\xee)\\xb2{\\xa1\\xb1\\x80\\xcc\\xaf\\x80\\xcf^\\\\\\x01D\\xfe:\\xf9&amp;#x27;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_zip/pcz_zip_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_zip Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_zip/pcz_zip_log.out:file_utils.py:391 Creating 8a3588c4-42e9-4e4c-b966-c920a1eb4786 temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_zip/pcz_zip_log.out:cmd_wrapper.py:33 cd 8a3588c4-42e9-4e4c-b966-c920a1eb4786 ; pcazip -p structure.ca.pdb -i traj.crd -o pcazip.pcz -q 90\n\nINFO     /tmp/biobb/unitests_60/pcz_zip/pcz_zip_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_zip/pcz_zip_log.out:file_utils.py:391 Removed: [&amp;#x27;8a3588c4-42e9-4e4c-b966-c920a1eb4786&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_animate.py::TestPCZanimate::test_pcz_animate&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_animate.py::TestPCZanimate::test_pcz_animate&#34;, &#34;duration&#34;: &#34;156 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_animate.py::TestPCZanimate::test_pcz_animate&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;156 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:15:06,900 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_animate Version: 4.2.0\n2024-05-28 09:15:06,901 [MainThread  ] [INFO ]  Creating 2f2d2ea9-624f-4920-90a3-1be799526b45 temporary folder\n2024-05-28 09:15:06,901 [MainThread  ] [INFO ]  cd 2f2d2ea9-624f-4920-90a3-1be799526b45 ; pczdump -i pcazip.pcz -o pcazip_anim1.pdb --anim=1 --pdb\n\n2024-05-28 09:15:06,910 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:15:06,911 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\n\n2024-05-28 09:15:06,911 [MainThread  ] [INFO ]  Removed: [&amp;#x27;2f2d2ea9-624f-4920-90a3-1be799526b45&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_animate/pcazip_anim1.pdb\nChecking RMSD between:\n     PDB_A: /tmp/biobb/unitests_60/pcz_animate/pcazip_anim1.pdb\n     PDB_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/pcazip_anim1.pdb\n     Ignoring HETAMT in RMSD\n     Ignoring Hydrogen atoms in RMSD\n     Atoms ALIGNED in PDB_A: 85\n     Atoms ALIGNED in PDB_B: 85\n     RMS: 7.911547607468411e-15\n     RMS_CUTOFF: 1\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_animate/pcz_animate_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_animate Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_animate/pcz_animate_log.out:file_utils.py:391 Creating 2f2d2ea9-624f-4920-90a3-1be799526b45 temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_animate/pcz_animate_log.out:cmd_wrapper.py:33 cd 2f2d2ea9-624f-4920-90a3-1be799526b45 ; pczdump -i pcazip.pcz -o pcazip_anim1.pdb --anim=1 --pdb\n\nINFO     /tmp/biobb/unitests_60/pcz_animate/pcz_animate_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_animate/pcz_animate_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_animate/pcz_animate_log.out:file_utils.py:391 Removed: [&amp;#x27;2f2d2ea9-624f-4920-90a3-1be799526b45&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_bfactor.py::TestPCZbfactor::test_pcz_bfactor&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_bfactor.py::TestPCZbfactor::test_pcz_bfactor&#34;, &#34;duration&#34;: &#34;78 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_bfactor.py::TestPCZbfactor::test_pcz_bfactor&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;78 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:15:07,082 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_bfactor Version: 4.2.0\n2024-05-28 09:15:07,082 [MainThread  ] [INFO ]  Creating 5b46b5a4-6b89-4421-b70e-403efdc59ed0 temporary folder\n2024-05-28 09:15:07,082 [MainThread  ] [INFO ]  cd 5b46b5a4-6b89-4421-b70e-403efdc59ed0 ; pczdump -i pcazip.pcz -o bfactors.dat --bfactor --fluc=1\n\n2024-05-28 09:15:07,093 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:15:07,093 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\n\n2024-05-28 09:15:07,093 [MainThread  ] [INFO ]  cd 5b46b5a4-6b89-4421-b70e-403efdc59ed0 ; pczdump -i pcazip.pcz -o bfactors.pdb --bfactor --fluc=1 --pdb\n\n2024-05-28 09:15:07,104 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:15:07,104 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\n\n2024-05-28 09:15:07,105 [MainThread  ] [INFO ]  Removed: [&amp;#x27;5b46b5a4-6b89-4421-b70e-403efdc59ed0&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_bfactor/bfactors.dat\nChecking if empty file: /tmp/biobb/unitests_60/pcz_bfactor/bfactors.pdb\nComparing: \n        File_A: /tmp/biobb/unitests_60/pcz_bfactor/bfactors.dat\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/bfactors.dat\n        File_A hash: b&amp;#x27;\\xc2\\x1aC\\xb6\\xce\\xa5&amp;amp;G\\x9b\\xec\\xb3\\xebM!\\xcd\\xa3\\x1d\\x86\\x96\\xed\\xc0 o\\xdc+\\x97-\\xc3\\x19\\x14\\xd0U&amp;#x27;\n        File_B hash: b&amp;#x27;\\xc2\\x1aC\\xb6\\xce\\xa5&amp;amp;G\\x9b\\xec\\xb3\\xebM!\\xcd\\xa3\\x1d\\x86\\x96\\xed\\xc0 o\\xdc+\\x97-\\xc3\\x19\\x14\\xd0U&amp;#x27;\nChecking RMSD between:\n     PDB_A: /tmp/biobb/unitests_60/pcz_bfactor/bfactors.pdb\n     PDB_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/bfactors.pdb\n     Ignoring HETAMT in RMSD\n     Ignoring Hydrogen atoms in RMSD\n     Atoms ALIGNED in PDB_A: 85\n     Atoms ALIGNED in PDB_B: 85\n     RMS: 7.911547607468411e-15\n     RMS_CUTOFF: 1\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_bfactor/pcz_bfactor_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_bfactor Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_bfactor/pcz_bfactor_log.out:file_utils.py:391 Creating 5b46b5a4-6b89-4421-b70e-403efdc59ed0 temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_bfactor/pcz_bfactor_log.out:cmd_wrapper.py:33 cd 5b46b5a4-6b89-4421-b70e-403efdc59ed0 ; pczdump -i pcazip.pcz -o bfactors.dat --bfactor --fluc=1\n\nINFO     /tmp/biobb/unitests_60/pcz_bfactor/pcz_bfactor_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_bfactor/pcz_bfactor_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_bfactor/pcz_bfactor_log.out:cmd_wrapper.py:33 cd 5b46b5a4-6b89-4421-b70e-403efdc59ed0 ; pczdump -i pcazip.pcz -o bfactors.pdb --bfactor --fluc=1 --pdb\n\nINFO     /tmp/biobb/unitests_60/pcz_bfactor/pcz_bfactor_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_bfactor/pcz_bfactor_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_bfactor/pcz_bfactor_log.out:file_utils.py:391 Removed: [&amp;#x27;5b46b5a4-6b89-4421-b70e-403efdc59ed0&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_collectivity.py::TestPCZcollectivity::test_pcz_collectivity&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_collectivity.py::TestPCZcollectivity::test_pcz_collectivity&#34;, &#34;duration&#34;: &#34;33 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_collectivity.py::TestPCZcollectivity::test_pcz_collectivity&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;33 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:15:07,139 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_collectivity Version: 4.2.0\n2024-05-28 09:15:07,140 [MainThread  ] [INFO ]  Creating 6d2a070c-9e47-4762-989d-58d16a6e27eb temporary folder\n2024-05-28 09:15:07,140 [MainThread  ] [INFO ]  cd 6d2a070c-9e47-4762-989d-58d16a6e27eb ; pczdump -i pcazip.pcz -o output.dat --collectivity=0\n\n2024-05-28 09:15:07,148 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:15:07,149 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\n\n2024-05-28 09:15:07,149 [MainThread  ] [INFO ]  Removed: [&amp;#x27;6d2a070c-9e47-4762-989d-58d16a6e27eb&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_collectivity/pcz_collectivity.json\nComparing: \n        File_A: /tmp/biobb/unitests_60/pcz_collectivity/pcz_collectivity.json\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/pcz_collectivity.json\n        File_A hash: b&amp;quot;\\xc94A\\xec1\\xf4.\\xedV&amp;#x27;\\x90J\\x7fK\\xc8\\xdd\\xdc\\xa4*\\x1fs\\xe4\\x1d\\x83\\x1d\\x16\\xd7\\x1a\\x84\\x9a\\xe3Z&amp;quot;\n        File_B hash: b&amp;quot;\\xc94A\\xec1\\xf4.\\xedV&amp;#x27;\\x90J\\x7fK\\xc8\\xdd\\xdc\\xa4*\\x1fs\\xe4\\x1d\\x83\\x1d\\x16\\xd7\\x1a\\x84\\x9a\\xe3Z&amp;quot;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_collectivity/pcz_collectivity_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_collectivity Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_collectivity/pcz_collectivity_log.out:file_utils.py:391 Creating 6d2a070c-9e47-4762-989d-58d16a6e27eb temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_collectivity/pcz_collectivity_log.out:cmd_wrapper.py:33 cd 6d2a070c-9e47-4762-989d-58d16a6e27eb ; pczdump -i pcazip.pcz -o output.dat --collectivity=0\n\nINFO     /tmp/biobb/unitests_60/pcz_collectivity/pcz_collectivity_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_collectivity/pcz_collectivity_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_collectivity/pcz_collectivity_log.out:file_utils.py:391 Removed: [&amp;#x27;6d2a070c-9e47-4762-989d-58d16a6e27eb&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_evecs.py::TestPCZevecs::test_pcz_evecs&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_evecs.py::TestPCZevecs::test_pcz_evecs&#34;, &#34;duration&#34;: &#34;38 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_evecs.py::TestPCZevecs::test_pcz_evecs&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;38 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:15:07,175 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_evecs Version: 4.2.0\n2024-05-28 09:15:07,175 [MainThread  ] [INFO ]  Creating c6fb777c-e42a-4546-85ac-0ea83460cc0a temporary folder\n2024-05-28 09:15:07,175 [MainThread  ] [INFO ]  cd c6fb777c-e42a-4546-85ac-0ea83460cc0a ; pczdump -i pcazip.pcz -o output.dat --evec=1\n\n2024-05-28 09:15:07,188 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:15:07,189 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\n\n2024-05-28 09:15:07,190 [MainThread  ] [INFO ]  Removed: [&amp;#x27;c6fb777c-e42a-4546-85ac-0ea83460cc0a&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_evecs/pcz_evecs.json\nComparing: \n        File_A: /tmp/biobb/unitests_60/pcz_evecs/pcz_evecs.json\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/pcz_evecs.json\n        File_A hash: b&amp;#x27;YK\\x9b\\x1a&amp;lt;\\x1b\\xfc\\x9b\\xaf\\x02#\\x82\\x83\\x8dY\\x94\\xa4\\xfb\\xfe\\x86\\x81\\xe25\\x00\\x99\\x8e!2\\xd3\\x17\\x13\\x87&amp;#x27;\n        File_B hash: b&amp;#x27;YK\\x9b\\x1a&amp;lt;\\x1b\\xfc\\x9b\\xaf\\x02#\\x82\\x83\\x8dY\\x94\\xa4\\xfb\\xfe\\x86\\x81\\xe25\\x00\\x99\\x8e!2\\xd3\\x17\\x13\\x87&amp;#x27;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_evecs/pcz_evecs_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_evecs Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_evecs/pcz_evecs_log.out:file_utils.py:391 Creating c6fb777c-e42a-4546-85ac-0ea83460cc0a temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_evecs/pcz_evecs_log.out:cmd_wrapper.py:33 cd c6fb777c-e42a-4546-85ac-0ea83460cc0a ; pczdump -i pcazip.pcz -o output.dat --evec=1\n\nINFO     /tmp/biobb/unitests_60/pcz_evecs/pcz_evecs_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_evecs/pcz_evecs_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_evecs/pcz_evecs_log.out:file_utils.py:391 Removed: [&amp;#x27;c6fb777c-e42a-4546-85ac-0ea83460cc0a&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_hinges.py::TestPCZhinges::test_pcz_hinges&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_hinges.py::TestPCZhinges::test_pcz_hinges&#34;, &#34;duration&#34;: &#34;265 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_hinges.py::TestPCZhinges::test_pcz_hinges&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;265 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:15:07,215 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_hinges Version: 4.2.0\n2024-05-28 09:15:07,215 [MainThread  ] [INFO ]  Creating e49f7950-5a36-49ea-9139-7ad05e2683fe temporary folder\n2024-05-28 09:15:07,215 [MainThread  ] [INFO ]  cd e49f7950-5a36-49ea-9139-7ad05e2683fe ; pczdump -i pcazip.pcz -o output.dat -t 0.3 --hinge=0 &amp;gt;&amp;amp; output.log\n\n2024-05-28 09:15:07,455 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:15:07,457 [MainThread  ] [INFO ]  Removed: [&amp;#x27;e49f7950-5a36-49ea-9139-7ad05e2683fe&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_hinges/hinges.json\nComparing: \n        File_A: /tmp/biobb/unitests_60/pcz_hinges/hinges.json\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/hinges.json\n        File_A hash: b&amp;#x27;\\xcd\\x013\\xb1T\\x89\\rB\\xfaq\\xa8\\xc4\\xf6\\x95\\x19\\x04\\xc6m0\\xb1\\xe3\\xaa\\xd6\\xc6D/\\xb5\\x0e\\xe3\\xe2\\xb1;&amp;#x27;\n        File_B hash: b&amp;#x27;\\xcd\\x013\\xb1T\\x89\\rB\\xfaq\\xa8\\xc4\\xf6\\x95\\x19\\x04\\xc6m0\\xb1\\xe3\\xaa\\xd6\\xc6D/\\xb5\\x0e\\xe3\\xe2\\xb1;&amp;#x27;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_hinges/pcz_hinges_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_hinges Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_hinges/pcz_hinges_log.out:file_utils.py:391 Creating e49f7950-5a36-49ea-9139-7ad05e2683fe temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_hinges/pcz_hinges_log.out:cmd_wrapper.py:33 cd e49f7950-5a36-49ea-9139-7ad05e2683fe ; pczdump -i pcazip.pcz -o output.dat -t 0.3 --hinge=0 &amp;gt;&amp;amp; output.log\n\nINFO     /tmp/biobb/unitests_60/pcz_hinges/pcz_hinges_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_hinges/pcz_hinges_log.out:file_utils.py:391 Removed: [&amp;#x27;e49f7950-5a36-49ea-9139-7ad05e2683fe&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_info.py::TestPCZinfo::test_pcz_info&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_info.py::TestPCZinfo::test_pcz_info&#34;, &#34;duration&#34;: &#34;36 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_info.py::TestPCZinfo::test_pcz_info&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;36 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:15:07,481 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_info Version: 4.2.0\n2024-05-28 09:15:07,481 [MainThread  ] [INFO ]  Creating e9696d10-94d6-4a55-8b35-434f7a5ee25c temporary folder\n2024-05-28 09:15:07,482 [MainThread  ] [INFO ]  cd e9696d10-94d6-4a55-8b35-434f7a5ee25c ; pczdump -i pcazip.pcz -o output1.dat --info ; pczdump -i pcazip.pcz -o output2.dat --evals\n\n2024-05-28 09:15:07,494 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:15:07,494 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\n\n2024-05-28 09:15:07,495 [MainThread  ] [INFO ]  Removed: [&amp;#x27;e9696d10-94d6-4a55-8b35-434f7a5ee25c&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_info/pcz.json\nComparing: \n        File_A: /tmp/biobb/unitests_60/pcz_info/pcz.json\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/pcz_info.json\n        File_A hash: b&amp;quot;]\\xf5$\\x87\\x84r\\x15\\xe7-\\x83v.\\xc0x\\xb6|\\xd6\\x8b\\x1dj\\xb3\\xb5[y\\x17&amp;#x27;\\xd9\\xebW&amp;lt;\\xa5%&amp;quot;\n        File_B hash: b&amp;quot;]\\xf5$\\x87\\x84r\\x15\\xe7-\\x83v.\\xc0x\\xb6|\\xd6\\x8b\\x1dj\\xb3\\xb5[y\\x17&amp;#x27;\\xd9\\xebW&amp;lt;\\xa5%&amp;quot;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_info/pcz_info_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_info Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_info/pcz_info_log.out:file_utils.py:391 Creating e9696d10-94d6-4a55-8b35-434f7a5ee25c temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_info/pcz_info_log.out:cmd_wrapper.py:33 cd e9696d10-94d6-4a55-8b35-434f7a5ee25c ; pczdump -i pcazip.pcz -o output1.dat --info ; pczdump -i pcazip.pcz -o output2.dat --evals\n\nINFO     /tmp/biobb/unitests_60/pcz_info/pcz_info_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_info/pcz_info_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_info/pcz_info_log.out:file_utils.py:391 Removed: [&amp;#x27;e9696d10-94d6-4a55-8b35-434f7a5ee25c&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_lindemann.py::TestPCZlindemann::test_pcz_lindemann&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_lindemann.py::TestPCZlindemann::test_pcz_lindemann&#34;, &#34;duration&#34;: &#34;59 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_lindemann.py::TestPCZlindemann::test_pcz_lindemann&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;59 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:15:07,521 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_lindemann Version: 4.2.0\n2024-05-28 09:15:07,522 [MainThread  ] [INFO ]  Creating 97fee4c6-72f6-4380-8554-a366ed3a3dc2 temporary folder\n2024-05-28 09:15:07,522 [MainThread  ] [INFO ]  cd 97fee4c6-72f6-4380-8554-a366ed3a3dc2 ; pczdump -i pcazip.pcz -o output.dat --lindemann\n\n2024-05-28 09:15:07,555 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:15:07,555 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\n\n2024-05-28 09:15:07,556 [MainThread  ] [INFO ]  Removed: [&amp;#x27;97fee4c6-72f6-4380-8554-a366ed3a3dc2&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_lindemann/pcz_lindemann.json\nComparing: \n        File_A: /tmp/biobb/unitests_60/pcz_lindemann/pcz_lindemann.json\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/pcz_lindemann.json\n        File_A hash: b&amp;#x27;\\xf7\\x17x\\x10\\x99\\xe2\\xf8,\\xba\\xc0\\x10\\xea\\xca\\xcb\\x0e\\xb5)b\\xe2\\x8drFr\\xce\\xdd\\x88\\xcf\\xcdh\\xf6v\\xb3&amp;#x27;\n        File_B hash: b&amp;#x27;\\xf7\\x17x\\x10\\x99\\xe2\\xf8,\\xba\\xc0\\x10\\xea\\xca\\xcb\\x0e\\xb5)b\\xe2\\x8drFr\\xce\\xdd\\x88\\xcf\\xcdh\\xf6v\\xb3&amp;#x27;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_lindemann/pcz_lindemann_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_lindemann Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_lindemann/pcz_lindemann_log.out:file_utils.py:391 Creating 97fee4c6-72f6-4380-8554-a366ed3a3dc2 temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_lindemann/pcz_lindemann_log.out:cmd_wrapper.py:33 cd 97fee4c6-72f6-4380-8554-a366ed3a3dc2 ; pczdump -i pcazip.pcz -o output.dat --lindemann\n\nINFO     /tmp/biobb/unitests_60/pcz_lindemann/pcz_lindemann_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_lindemann/pcz_lindemann_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_lindemann/pcz_lindemann_log.out:file_utils.py:391 Removed: [&amp;#x27;97fee4c6-72f6-4380-8554-a366ed3a3dc2&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_similarity.py::TestPCZsimilarity::test_pcz_similarity&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_similarity.py::TestPCZsimilarity::test_pcz_similarity&#34;, &#34;duration&#34;: &#34;110 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_similarity.py::TestPCZsimilarity::test_pcz_similarity&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;110 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:15:07,581 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_similarity Version: 4.2.0\n2024-05-28 09:15:07,581 [MainThread  ] [INFO ]  Creating 6feba4f9-ab09-4ddb-a308-d6b62113efb4 temporary folder\n2024-05-28 09:15:07,581 [MainThread  ] [INFO ]  cd 6feba4f9-ab09-4ddb-a308-d6b62113efb4 ; pczdump -i pcazip.pcz -o output1.dat --evals ; pczdump -i pcazip.pcz -o output2.dat --evals\n\n2024-05-28 09:15:07,594 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:15:07,594 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\n\n2024-05-28 09:15:07,595 [MainThread  ] [INFO ]  cd 6feba4f9-ab09-4ddb-a308-d6b62113efb4 ; pczdump -i pcazip.pcz -o evecs_1_pc1 --evec=1 ; pczdump -i pcazip.pcz -o evecs_2_pc1 --evec=1 ; pczdump -i pcazip.pcz -o evecs_1_pc2 --evec=2 ; pczdump -i pcazip.pcz -o evecs_2_pc2 --evec=2 ; pczdump -i pcazip.pcz -o evecs_1_pc3 --evec=3 ; pczdump -i pcazip.pcz -o evecs_2_pc3 --evec=3 ; pczdump -i pcazip.pcz -o evecs_1_pc4 --evec=4 ; pczdump -i pcazip.pcz -o evecs_2_pc4 --evec=4 ; pczdump -i pcazip.pcz -o evecs_1_pc5 --evec=5 ; pczdump -i pcazip.pcz -o evecs_2_pc5 --evec=5 ; pczdump -i pcazip.pcz -o evecs_1_pc6 --evec=6 ; pczdump -i pcazip.pcz -o evecs_2_pc6 --evec=6 ; pczdump -i pcazip.pcz -o evecs_1_pc7 --evec=7 ; pczdump -i pcazip.pcz -o evecs_2_pc7 --evec=7 ;\n\n2024-05-28 09:15:07,651 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:15:07,652 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\n\n2024-05-28 09:15:07,668 [MainThread  ] [INFO ]  Removed: [&amp;#x27;6feba4f9-ab09-4ddb-a308-d6b62113efb4&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity.json\nComparing: \n        File_A: /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity.json\n        File_B: /home/user/actions-runner/_work/biobb_flexserv/biobb_flexserv/biobb_flexserv/test/reference/pcasuite/pcz_similarity.json\n        File_A hash: b&amp;#x27;k\\xf1\\xa8kZ_\\rzn\\xa9\\xca\\xe6/\\xcf\\xff:\\x80\\x0bEn\\xd0,\\x92\\xeaN\\xfb\\x8d\\x8a\\xdcB\\xe5\\xff&amp;#x27;\n        File_B hash: b&amp;#x27;k\\xf1\\xa8kZ_\\rzn\\xa9\\xca\\xe6/\\xcf\\xff:\\x80\\x0bEn\\xd0,\\x92\\xeaN\\xfb\\x8d\\x8a\\xdcB\\xe5\\xff&amp;#x27;\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_similarity Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity_log.out:file_utils.py:391 Creating 6feba4f9-ab09-4ddb-a308-d6b62113efb4 temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity_log.out:cmd_wrapper.py:33 cd 6feba4f9-ab09-4ddb-a308-d6b62113efb4 ; pczdump -i pcazip.pcz -o output1.dat --evals ; pczdump -i pcazip.pcz -o output2.dat --evals\n\nINFO     /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity_log.out:cmd_wrapper.py:33 cd 6feba4f9-ab09-4ddb-a308-d6b62113efb4 ; pczdump -i pcazip.pcz -o evecs_1_pc1 --evec=1 ; pczdump -i pcazip.pcz -o evecs_2_pc1 --evec=1 ; pczdump -i pcazip.pcz -o evecs_1_pc2 --evec=2 ; pczdump -i pcazip.pcz -o evecs_2_pc2 --evec=2 ; pczdump -i pcazip.pcz -o evecs_1_pc3 --evec=3 ; pczdump -i pcazip.pcz -o evecs_2_pc3 --evec=3 ; pczdump -i pcazip.pcz -o evecs_1_pc4 --evec=4 ; pczdump -i pcazip.pcz -o evecs_2_pc4 --evec=4 ; pczdump -i pcazip.pcz -o evecs_1_pc5 --evec=5 ; pczdump -i pcazip.pcz -o evecs_2_pc5 --evec=5 ; pczdump -i pcazip.pcz -o evecs_1_pc6 --evec=6 ; pczdump -i pcazip.pcz -o evecs_2_pc6 --evec=6 ; pczdump -i pcazip.pcz -o evecs_1_pc7 --evec=7 ; pczdump -i pcazip.pcz -o evecs_2_pc7 --evec=7 ;\n\nINFO     /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\nWarning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_similarity/pcz_similarity_log.out:file_utils.py:391 Removed: [&amp;#x27;6feba4f9-ab09-4ddb-a308-d6b62113efb4&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}], &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_stiffness.py::TestPCZstiffness::test_pcz_stiffness&#34;: [{&#34;extras&#34;: [], &#34;result&#34;: &#34;Passed&#34;, &#34;testId&#34;: &#34;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_stiffness.py::TestPCZstiffness::test_pcz_stiffness&#34;, &#34;duration&#34;: &#34;146 ms&#34;, &#34;resultsTableRow&#34;: [&#34;&lt;td class=\&#34;col-result\&#34;&gt;Passed&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-testId\&#34;&gt;biobb_flexserv/test/unitests/test_pcasuite/test_pcz_stiffness.py::TestPCZstiffness::test_pcz_stiffness&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-duration\&#34;&gt;146 ms&lt;/td&gt;&#34;, &#34;&lt;td class=\&#34;col-links\&#34;&gt;&lt;/td&gt;&#34;], &#34;log&#34;: &#34;----------------------------- Captured stdout call -----------------------------\n2024-05-28 09:15:07,693 [MainThread  ] [INFO ]  Executing biobb_flexserv.pcasuite.pcz_stiffness Version: 4.2.0\n2024-05-28 09:15:07,693 [MainThread  ] [INFO ]  Creating 83f26eb7-2538-4fd2-9e0a-19110d534ee3 temporary folder\n2024-05-28 09:15:07,693 [MainThread  ] [INFO ]  cd 83f26eb7-2538-4fd2-9e0a-19110d534ee3 ; pczdump -i pcazip.pcz -o output.dat --stiff=0 --temperature=300\n\n2024-05-28 09:15:07,777 [MainThread  ] [INFO ]  Exit code 0\n\n2024-05-28 09:15:07,777 [MainThread  ] [INFO ]  Warning: No selection made, computing data with all atoms\n\n2024-05-28 09:15:07,816 [MainThread  ] [INFO ]  Removed: [&amp;#x27;83f26eb7-2538-4fd2-9e0a-19110d534ee3&amp;#x27;]\nChecking if empty file: /tmp/biobb/unitests_60/pcz_stiffness/pcz_stiffness.json\n\n------------------------------ Captured log call -------------------------------\nINFO     /tmp/biobb/unitests_60/pcz_stiffness/pcz_stiffness_log.out:file_utils.py:391 Executing biobb_flexserv.pcasuite.pcz_stiffness Version: 4.2.0\nINFO     /tmp/biobb/unitests_60/pcz_stiffness/pcz_stiffness_log.out:file_utils.py:391 Creating 83f26eb7-2538-4fd2-9e0a-19110d534ee3 temporary folder\nINFO     /tmp/biobb/unitests_60/pcz_stiffness/pcz_stiffness_log.out:cmd_wrapper.py:33 cd 83f26eb7-2538-4fd2-9e0a-19110d534ee3 ; pczdump -i pcazip.pcz -o output.dat --stiff=0 --temperature=300\n\nINFO     /tmp/biobb/unitests_60/pcz_stiffness/pcz_stiffness_log.out:cmd_wrapper.py:50 Exit code 0\n\nINFO     /tmp/biobb/unitests_60/pcz_stiffness/pcz_stiffness_log.err:cmd_wrapper.py:60 Warning: No selection made, computing data with all atoms\n\nINFO     /tmp/biobb/unitests_60/pcz_stiffness/pcz_stiffness_log.out:file_utils.py:391 Removed: [&amp;#x27;83f26eb7-2538-4fd2-9e0a-19110d534ee3&amp;#x27;]\n\n--------------------------- Captured stdout teardown ---------------------------\n\nRemoving: /tmp/biobb/unitests_60\n&#34;}]}, &#34;renderCollapsed&#34;: [&#34;passed&#34;], &#34;initialSort&#34;: &#34;result&#34;, &#34;title&#34;: &#34;report.html&#34;}"></div>
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 const { getCollapsedCategory, setCollapsedIds } = require('./storage.js')