Tools for ligand validation in Coot

Emsley, P.

doi:10.1107/S2059798317003382

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 8
Histogram of the number of bad contacts of ligands with their environment for ligands in the wwPDB. The median number of bad contacts for a ligand is 1. Instead of aiming to be better (fewer bad contacts) than the median number of bad contacts, it is recommended to target a value of zero bad contacts.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 73| Part 3| March 2017| Pages 203-210

https://doi.org/10.1107/S2059798317003382

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