diff --git a/docs/_static/LogoUIBCDF_vertical.png b/docs/_static/LogoUIBCDF_vertical.png new file mode 100644 index 000000000..d8d2ea237 Binary files /dev/null and b/docs/_static/LogoUIBCDF_vertical.png differ diff --git a/docs/_static/LogotipoIxtlilton.png b/docs/_static/LogotipoIxtlilton.png new file mode 100644 index 000000000..e2af0c591 Binary files /dev/null and b/docs/_static/LogotipoIxtlilton.png differ diff --git a/docs/_templates/copyright.html b/docs/_templates/copyright.html index 16368b510..5c3e7f551 100644 --- a/docs/_templates/copyright.html +++ b/docs/_templates/copyright.html @@ -1,5 +1,5 @@
- © 2023, Liliana M. Moreno Vargas, Diego Prada Gracia + © 2023, Liliana M. Moreno Vargas, Diego Prada Gracia and contributors | UIBCDF Lab at the Children's Hospital of Mexico Federico Gómez
MolSysMT is an open source project shared diff --git a/docs/contents/about/what.md b/docs/contents/about/what.md index 8705e6d4b..6bf2c24d7 100644 --- a/docs/contents/about/what.md +++ b/docs/contents/about/what.md @@ -1,5 +1,55 @@ # What is MolSysMT? -To be written soon. +MolSysMT -**Mol**ecular **Sys**tems **M**ulti **T**oolkit - is a scientific +open-source Python library designed to facilitate work with molecular models +and simulations. +This library was developed to provide a user-friendly interface for +computational molecular biology labs, such as the +[UIBCDF](https://www.uibcdf.org/), to use in their research. With MolSysMT, you +can streamline the integration of workflows involving molecular models and +molecular dynamics trajectories. + +While most of the functions and methods in MolSysMT were purposefully developed +and in-house programmed, the inclusion of native objects and functions was not its +primary goal, nor is it the strongest reason to use it. The main strength of +MolSysMT lies in its flexibility and adaptability, making it a valuable tool +for supporting workflows with molecular models and simulations. MolSysMT was +not designed to replicate the capabilities of other tools that may excel in +specific areas. Instead, it was conceived as an easy-to-use tool for +coordinating and integrating the use of libraries such as MDAnalysis, MDTraj, +PDBFixer, OpenMM, ParmED, HTMD, RDKit, or NGLView, among other extremely useful +libraries. Whenever you use methods or tools from these packages, all credit +should be given to their respective authors, developers, maintainers, and +contributors. + +MolSysMT is an open-source project shared under the MIT license. This means +that you have the right to use, copy, modify, merge, publish, distribute, +sublicense, and/or sell copies without any limitations. + +If you have suggestions, improvements, enhancement proposals, if you miss a +functionality, or you have identified a bug or a malfunction, feel free to +contribute to its development or interact with the authors and contributors by +using the [MolSysMT public GitHub repository](https://github.com/uibcdf/MolSysMT). + +When using MolSysMT, it is important to understand that the authors and +contributors do not provide any legal warranty or assume any liability of any +kind regarding its use and results. + +We hope you find it useful! + +The authors. + +
+ +
+ +:::{figure} ../../_static/logo.svg +:width: 50% +:align: center +::: + +
+ +
diff --git a/docs/contents/about/who.md b/docs/contents/about/who.md index 76361c9db..74061c1a3 100644 --- a/docs/contents/about/who.md +++ b/docs/contents/about/who.md @@ -1,4 +1,40 @@ # Who is behind? -Breve descripción de los responsables y contribuyentes. +MolSysMT is a project conceived and developed by the members of +the [Computational Biology and Drug Design Research Unit +(UIBCDF)](https://www.uibcdf.org/) at the [Mexican National Institute of Health +- Children's Hospital of Mexico Federico Gómez](http://www.himfg.edu.mx/). +## Authors + +- [Liliana M. Moreno Vargas](https://www.uibcdf.org/) +- [Diego Prada Gracia](https://www.uibcdf.org/) + +## Contributors + +- [Daniel Ibarrola Sánchez](https://github.com/Daniel-Ibarrola) + +
+ +
+ +
+ +::::{grid} 2 +:::{grid-item} +```{image} ../../_static/LogoUIBCDF_vertical.png +:height: 180px +:align: center +``` +::: +:::{grid-item} +```{image} ../../_static/LogotipoIxtlilton.png +:height: 180px +:align: center +``` +::: +:::: + +
+ +