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DCC: a Swiss army knife for structure factor analysis and validation.


ABSTRACT: 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.

SUBMITTER: Yang H 

PROVIDER: S-EPMC4886994 | biostudies-literature | 2016 Jun

REPOSITORIES: biostudies-literature

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<i>DCC</i>: a Swiss army knife for structure factor analysis and validation.

Yang Huanwang H   Peisach Ezra E   Westbrook John D JD   Young Jasmine J   Berman Helen M HM   Burley Stephen K SK  

Journal of applied crystallography 20160418 Pt 3


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 <i>DCC</i> 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. <i>DCC</i> functionality includes structure factor validation, electron-density map g  ...[more]

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