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

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...

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Autores principales: Yang, Huanwang, Peisach, Ezra, Westbrook, John D., Young, Jasmine, Berman, Helen M., Burley, Stephen K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Computer Programs
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886994/
https://www.ncbi.nlm.nih.gov/pubmed/27275151
http://dx.doi.org/10.1107/S1600576716004428
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author Yang, Huanwang
Peisach, Ezra
Westbrook, John D.
Young, Jasmine
Berman, Helen M.
Burley, Stephen K.
author_facet Yang, Huanwang
Peisach, Ezra
Westbrook, John D.
Young, Jasmine
Berman, Helen M.
Burley, Stephen K.
author_sort Yang, Huanwang
collection PubMed
description 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.
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spelling pubmed-48869942016-06-06 DCC: a Swiss army knife for structure factor analysis and validation Yang, Huanwang Peisach, Ezra Westbrook, John D. Young, Jasmine Berman, Helen M. Burley, Stephen K. J Appl Crystallogr Computer Programs 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. International Union of Crystallography 2016-04-18 /pmc/articles/PMC4886994/ /pubmed/27275151 http://dx.doi.org/10.1107/S1600576716004428 Text en © Huanwang Yang et al. 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Computer Programs
Yang, Huanwang
Peisach, Ezra
Westbrook, John D.
Young, Jasmine
Berman, Helen M.
Burley, Stephen K.
DCC: a Swiss army knife for structure factor analysis and validation
title DCC: a Swiss army knife for structure factor analysis and validation
title_full DCC: a Swiss army knife for structure factor analysis and validation
title_fullStr DCC: a Swiss army knife for structure factor analysis and validation
title_full_unstemmed DCC: a Swiss army knife for structure factor analysis and validation
title_short DCC: a Swiss army knife for structure factor analysis and validation
title_sort dcc: a swiss army knife for structure factor analysis and validation
topic Computer Programs
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886994/
https://www.ncbi.nlm.nih.gov/pubmed/27275151
http://dx.doi.org/10.1107/S1600576716004428
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