[Biopython] Conformation assignment
Navid Shervani-Tabar <[email protected]> Wed, 16 Sep 2020 12:34:54 -0400
| Newsgroups | gmane.comp.python.bio.general |
|---|---|
| Message-ID | <CAAaLMm2WXQHaZ0DUP1UBP1b3pY0eEe88oDVBOnGs++BwmaTKdw@mail.gmail.com> |
Dear biopython experts, I have a trajectory of alanine dipeptide molecule (from https://markovmodel.github.io/mdshare/ALA2/#alanine-dipeptide) and would like to save the conformation label (alpha_L, alpha_R, beta, etc) at each timestep. I was wondering if biopython can do this. I have two files available: 1) .pdb file and 2) .xtc file. Thanks! Best, Navid _______________________________________________ Biopython mailing list - [email protected] https://mailman.open-bio.org/mailman/listinfo/biopython