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    • Xavier Robin's avatar
      fix: remove H with selection rather than Molck · 2427d5b2
      Xavier Robin authored
      This makes the ligand scoring script more independent of an up-to-date
      compound library, which is a strong requirement of Molck.
      This was a problem for the April 2023 Modeling Championship where the
      script was run with an out of date library and the element of an atom of
      the ligand was silently changed, preventing the symmetry correction to
      find isomorphisms and resulting in the absence of scores.
      2427d5b2
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