Premium
DCC : a Swiss army knife for structure factor analysis and validation
Author(s) -
Yang Huanwang,
Peisach Ezra,
Westbrook John D.,
Young Jasmine,
Berman Helen M.,
Burley Stephen K.
Publication year - 2016
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s1600576716004428
Subject(s) - protein data bank (rcsb pdb) , slicing , protein data bank , computer science , factor (programming language) , software , line (geometry) , data file , data structure , database , data mining , computer graphics (images) , programming language , chemistry , protein structure , mathematics , biochemistry , geometry , stereochemistry
Since 2008, X-ray structure depositions to the Protein Data Bank archive (PDB) have required submission of experimental data in the form of structure factor files. RCSB PDB has developed the program DCC to allow worldwide PDB (wwPDB; http://wwpdb.org) biocurators, using a single command-line program, to invoke a number of third-party software packages to compare the model file with the experimental data. DCC functionality includes structure factor validation, electron-density map generation and slicing, local electron-density analysis, and residual B factor analysis. DCC outputs a summary containing various crystallographic statistics in PDBx/mmCIF format for use in automatic data processing and archiving pipelines.