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baker-laboratory / rf_diffusion_all_atom

Public RFDiffusionAA repo
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Fix TRP Side Chain Atom Representation in `chemical.py` #21

Open dohyeonscottkim opened 2 months ago

dohyeonscottkim commented 2 months ago

Description : This pull request fixes the atom order for tryptophan (TRP) side chain representation in the aa2long and aa2longalt variables in chemical.py. The N and C atoms were switched, causing issues with protein motif representations.

Changes Made : Corrected the order of N and C atoms in the tryptophan (TRP) side chain representation in aa2long and aa2longalt.

Before (N in middle of the ring) image

After (N in the right place) image