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reorganize functions and libraries
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menoliu committed Apr 12, 2024
1 parent a8fe5c8 commit 22f5c56
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Showing 6 changed files with 845 additions and 835 deletions.
7 changes: 3 additions & 4 deletions src/idpconfgen/cli_complex.py
Original file line number Diff line number Diff line change
Expand Up @@ -33,21 +33,20 @@
from idpconfgen.components.xmer_probs import add_xmer_arg
from idpconfgen.core.build_definitions import forcefields
from idpconfgen.libs import libcli
from idpconfgen.libs.libio import make_folder_or_cwd, read_dictionary_from_disk
from idpconfgen.libs.libmultichain import (
from idpconfgen.libs.libcomplex import (
contact_matrix,
contact_type,
electropotential_matrix,
extract_interpairs_from_db,
extract_intrapairs_from_db,
find_sa_residues,
process_custom_contacts,
select_contacts,
select_custom_contacts,
)
from idpconfgen.libs.libio import make_folder_or_cwd, read_dictionary_from_disk
from idpconfgen.libs.libmulticore import pool_function
from idpconfgen.libs.libparse import update_chars_lower
from idpconfgen.libs.libstructure import Structure
from idpconfgen.libs.libstructure import Structure, find_sa_residues
from idpconfgen.logger import S, T, init_files, report_on_crash


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2 changes: 1 addition & 1 deletion src/idpconfgen/cli_contacts.py
Original file line number Diff line number Diff line change
Expand Up @@ -30,6 +30,7 @@

from idpconfgen import Path, log
from idpconfgen.libs import libcli
from idpconfgen.libs.libcomplex import contact_type
from idpconfgen.libs.libio import (
extract_from_tar,
read_dictionary_from_disk,
Expand All @@ -39,7 +40,6 @@
from idpconfgen.libs.libmultichain import (
calc_interchain_ca_contacts,
calc_intrachain_ca_contacts,
contact_type,
group_chains,
)
from idpconfgen.libs.libmulticore import pool_function
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