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Proper ligand structure #40

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helenginn opened this issue Jan 25, 2019 · 0 comments
Open

Proper ligand structure #40

helenginn opened this issue Jan 25, 2019 · 0 comments

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@helenginn
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Internal molecule structure should include separate molecules for each ligand and not write every atom out as a water molecule in the HETATM list but keep original info.
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@helenginn