Hi everyone,
I'm running into problems with changing chi1 torsion angles in protein sidechains using openbabel. For some structures updating the chi1 using SetTorsion changes some of the backbone dihedrals too and thus messes up the structure completely. I made a reproduction here: https://colab.research.google.com/drive/1JU7UA1uRWsS_WYqvMjQpdf4EJ5V6VaKz?usp=sharing Any ideas how to fix this? Thanks, Simon Simon Dürr Doctoral Assistant Laboratory of Computational Biochemistry and Chemistry EPFL SB ISIC LCBC BCH 4105 (Bât. BCH) CH-1015 Lausanne phone: +41 78 607 2524 i...@simonduerr.eu<mailto:i...@simonduerr.eu> https://simonduerr.eu<https://simonduerr.eu/>
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