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  1. Jul 24, 2024
  2. Jul 23, 2024
    • Xavier Robin's avatar
      fix: do not fill compound lib with invalid compounds and atoms · 454ba5a7
      Xavier Robin authored
      Reading the BIRD data from prd-all.cif.gz which doesn't contain any
      compound would result in a compound lib filled with dummy compounds and
      atoms, containing no useful data. This commit skips compounds with no
      _chem_comp.id (key data item) and non-loop atoms without an
      _chem_comp_atom.atom_id, with a warning.
      The result of reading prd-all.cif.gz is now an empty compound lib.
      Unverified
      454ba5a7
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