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Come up with elegant way of linking multiple compounds to a crystal and ligands to multisoaks #145

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TJGorrie opened this issue Aug 24, 2021 · 0 comments
Open

Come up with elegant way of linking multiple compounds to a crystal and ligands to multisoaks #145

TJGorrie opened this issue Aug 24, 2021 · 0 comments
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Marta did update XCDB regarding this WRT. XChemSpa but we need to really make sure it makes sense from a SoakDB point of view, and an XCR/Fragalysis point of view too.
@TJGorrie TJGorrie self-assigned this Aug 24, 2021
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