Sidechain torsion angle computation fails on examples containing Pyrolysin

a-r-j / graphein

Protein Graph Library

https://graphein.ai/

MIT License

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Sidechain torsion angle computation fails on examples containing Pyrolysin #356

Closed pankessel closed 6 months ago

pankessel commented 11 months ago

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!