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implement reference model checks #258

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tkrojer opened this issue Sep 13, 2019 · 0 comments
Open

implement reference model checks #258

tkrojer opened this issue Sep 13, 2019 · 0 comments

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@tkrojer
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tkrojer commented Sep 13, 2019

  • no LIG/DRG ligands allowed
  • reference CIF file fits non-standard ligand*
  • highlight status in model selection dropdown, e.g.
    model 1 - OK
    model 2 - PROBLEM

*) it has happened in the past the users first generated ligand PDB/ CIF file with one program (e.g. ACEDRG), then placed the ligand and refined. But later, for various reasons, generated a CIF file with another program, but did not update the coordinates of the ligand in the protein-ligand PDB file. Refinement failed in these cases because the atom names did not match.

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