RO-4209: Update polymer instance features with ligand interaction enumerations #140
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…es; Add connect_type to _rcsb_ligand_neighbors
| _item_enumeration.detail | ||
| 'covalent bond' 'The target is bound through a covalent interaction' | ||
| 'metal coordination' 'The target is bound through a metal-coordination interaction' | ||
| 'non-bonded' 'The target is not bound through a covalent or metal-coordination interaction' |
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Should the value here be non-bonded interaction rather than just non-bonded, which can be misunderstood as no interaction?
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I suppose that could work, but I hesitate since "interaction" isn't included in the other enumeration values. What are your thoughts, @valasatava?
| @@ -208,6 +213,9 @@ save__rcsb_entity_instance_feature.type | |||
| 'ZERO_OCCUPANCY_ATOM_XYZ' "Atom coordinates with zero occupancy" 'Zero Occupancy Atoms' . | |||
| 'UNOBSERVED_ATOM_XYZ' "Unobserved atom coordinates" 'Unobserved Atoms' . | |||
| 'UNOBSERVED_RESIDUE_XYZ' "Unobserved residue coordinates" 'Unobserved Residues' . | |||
| 'LIGAND_INTERACTION' 'Ligand interactions with macromolecular target' 'Ligand Interactions' . | |||
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Does LIGAND_INTERACTION correspond to non-bonded interactions only or does this include all types of interactions? Can this be clarified in the dictionary definitions?
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It includes all types of interactions. I'll update the description to convey that.
| _item_enumeration.detail | ||
| 'covalent bond' 'The target is bound through a covalent interaction' | ||
| 'metal coordination' 'The target is bound through a metal-coordination interaction' | ||
| 'non-bonded' 'The target is not bound through a covalent or metal-coordination interaction' |
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Here the values of _item_enumeration.detail should be The ligand is bound through... instead of The target is bound through....
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Thanks for catching that, will update it.
RO-4209