Support for specifying covalent bonds and glycans #205
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This was referenced Dec 3, 2024
Closed
jackdent
reviewed
Dec 4, 2024
jackdent
reviewed
Dec 4, 2024
Closed
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Description
Add support for
TokenBondRestraint, which allows specifying covalently bound ligands to residues, including glycans.Motivation
Glycan support.
Test plan
Added tests for glycan parsing; tested that given example inputs, folded structure places glycans attached to the correct residues both with and without MSAs being given. Also validated that examples without bonds have their predictions/behavior unchanged.