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Published 20 hours ago • verified publisher icon a-r-j

Sidechain torsion angle computation fails on examples containing Pyrolysin

Open pankessel opened this issue 2 years ago • 0 comments
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Describe the bug Hi Arian, great package!

THe sidechain angle computation in the tensor submodule fails on non-standard residues. You've already handled this for SEC, it just needs to be extended to account for PYL. Thanks and have a great day!

pankessel avatar Nov 03 '23 17:11 pankessel