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Deal with residue features in protein-ligand graphs #548

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DaniBodor opened this issue Jan 15, 2024 · 0 comments
Open

Deal with residue features in protein-ligand graphs #548

DaniBodor opened this issue Jan 15, 2024 · 0 comments

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@DaniBodor
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DaniBodor commented Jan 15, 2024

If not all chains contain residue atoms, then some features will not parse properly.

For each such feature decide and implement one of the following:

  • Do not allow the feature in these graph types.
  • Only add the feature to the residue-containing chain and find a proper entry type in the non-residue chain (e.g., nan or 0).

Blocked by #544

@DaniBodor DaniBodor added this to the M1.2: Protein-ligands milestone Jan 15, 2024
@gcroci2 gcroci2 changed the title Deal with residue features in ligand graphs Deal with residue features in protein-ligands graphs Jan 15, 2024
@gcroci2 gcroci2 changed the title Deal with residue features in protein-ligands graphs Deal with residue features in protein-ligand graphs Jan 15, 2024
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