Le 15/09/2020 à 20:59, Navid Shervani-Tabar a écrit :
Dear RDKiters,
I was wondering if RDKit can assign conformation type for molecules
such as alanine dipeptide based on their dihedral
angles/atom positions. If not, any software/package suggestions would
be appreciated.
Best,
Navid
Hi Navid,
Many can do that easily, use biopython, PyMol, Chimera, ...
If you want something more "biological", I'd recomment using PEP-Fold:
https://bioserv.rpbs.univ-paris-diderot.fr/services/PEP-FOLD/
HTH,
Stéphane
--
Assistant Professor, UFIP, UMR 6286 CNRS, Team Protein Design In Silico
UFR Sciences et Techniques, 2, rue de la Houssinière, Bât. 25, 44322 Nantes
cedex 03, France
Tél : +33 251 125 636 / Fax : +33 251 125 632
http://www.ufip.univ-nantes.fr/ - http://www.steletch.org
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