[Biopython] Conformation assignment

Navid Shervani-Tabar nshervt at gmail.com
Wed Sep 16 16:34:54 UTC 2020


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
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