[phenixbb] wwPDB ligand validation updates

John Berrisford jmb at ebi.ac.uk
Wed Jun 12 02:22:09 PDT 2019


Our recent update to the wwPDB validation reports provides much clearer
validation information for ligands.

We now include 2-dimensional diagrams of ligands, highlighting geometric
validation criteria and, for structures determined by X-ray crystallography,
3-dimensional views of electron density.

We also provide calculated electron density map coefficients which were used
to generate the analysis in the validation reports.

Initially, the updated-style reports will be available to in deposition, and
publicly for newly released or updated PDB entries. The new features will be
available for the whole archive following the next archive-wide
recalculation validation reports.

For more information, please visit








John Berrisford


European Bioinformatics Institute (EMBL-EBI)

European Molecular Biology Laboratory

Wellcome Trust Genome Campus


Cambridge CB10 1SD UK

Tel: +44 1223 492529


 <http://www.pdbe.org/> http://www.pdbe.org


 <http://twitter.com/PDBeurope> http://twitter.com/PDBeurope


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