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Crystallography Open Database and torsion angle statistics with rdkit | Spinning coral #2

Closed utterances-bot closed 3 years ago

utterances-bot commented 3 years ago

Crystallography Open Database and torsion angle statistics with rdkit | Spinning coral

First steps to check how easy / feasible it is to extract torsion angle statistics from the COD

https://pschmidtke.github.io/blog/rdkit/crystallography/small%20molecule%20xray/xray/database/2021/01/25/cod-and-torsion-angles.html

pschmidtke commented 3 years ago

test