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Why does boltz1x only calculate physical residue_constraints when dealing with non-standard residues?

Open CuteTigerF opened this issue 10 months ago • 0 comments

It seems that boltz1x steering only calculates residue_constraints when handling non-standard residues, without considering standard residues to impose physical constraints. What is the reasoning behind this? https://github.com/jwohlwend/boltz/blob/091b424cb40c09a77c67786f45260bddb38e84bf/src/boltz/data/parse/schema.py#L647

CuteTigerF avatar May 09 '25 05:05 CuteTigerF