Consider re-refining structures to electron density in a future release? - Githubissues

openforcefield / protein-ligand-benchmark-livecoms

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Consider re-refining structures to electron density in a future release? #11

Open jchodera opened 2 years ago

jchodera commented 2 years ago

Demetri Moustakas suggested we might consider re-refining the ligands to electron densities using tools that refine the referenec ligand, including tautomers, protomers, rotamers, and flip-states.