Changes between Version 4 and Version 5 of mmcif-issues


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Timestamp:
Mar 10, 2016, 1:30:35 PM (10 years ago)
Author:
gregc
Comment:

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  • mmcif-issues

    v4 v5  
    140140== Nonunique Waters == #water
    141141
    142 The atom_site's label_comp_id, label_asym_id, label_entity_id, and label_seq_id data values are supposed to uniquely identify the residue. Unfortunately, in the wwPDB's mmCIF files, the HOH residues have identical label_* fields, so they are indistinguishable without chemical knowledge or by peeking at the optional auth_seq_id data value.
     142The //atom_site//'s ''label_comp_id'', ''label_asym_id'', ''label_entity_id'', and ''label_seq_id'' data values are supposed to uniquely identify the residue. Unfortunately, in the wwPDB's mmCIF files, the '''HOH''' residues have identical ''label_*'' fields, so they are indistinguishable without chemical knowledge or by peeking at the optional ''auth_seq_id'' data value.
    143143
    144144=== Proposed fix: ===