Extended Experimental Inferential Structure Determination version 2
Goal: a generalized and modular version of X-EISD; developed with integration into the IDPConformerGenerator platform in mind.
Developer Notes: project CI based on @joaomcteixeira's Python-Project-Skeleton template. Developed as a standalone program with integration into the IDPConformerGenerator platform in mind.
More detailed documentation can be found at: READTHEDOCS LINK.
Within the repository you can find:
- Installation instructions in
docs/installation.rst. - Usage instructions in
docs/usage.rst. - See also the examples in the
example/folder.
If you use X-EISDv2, please cite:
(1) James Lincoff, Mojtaba Haghighatlari, Mickael Krzeminski, Joao Teixeira, Gregory Neal-Gomes, Claudu Gardinaru,
Julie Forman-Kay, Teresa Head-Gordon, https://www.nature.com/articles/s42004-020-0323-0
(2) David H. Brookes, and Teresa Head-Gordon, Experimental Inferential Structure Determination of Ensembles for
Intrinsically Disordered Proteins, JACS 138, 2016, 4530-4538 DOI: 10.1021/jacs.6b00351v0.1.4