MolProbity: structure validation and all-atom contact analysis for nucleic acids and their complexes

MolProbity is a general-purpose web service offering quality validation for three-dimensional (3D) structures of proteins, nucleic acids and complexes. It provides detailed all-atom contact analysis of any steric problems within the molecules and can calculate and display the H-bond and van der Waal...

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Bibliographic Details
Published in:Nucleic acids research 2004-07, Vol.32 (suppl-2), p.W615-W619
Main Authors: Davis, Ian W., Murray, Laura Weston, Richardson, Jane S., Richardson, David C.
Format: Article
Language:English
Subjects:
Hydrogen Bonding
Internet
Macromolecular Substances
Models, Molecular
Molecular Structure
Nucleic Acid Conformation
Nucleic Acids - chemistry
Protein Conformation
Proteins - chemistry
Reproducibility of Results
Software
User-Computer Interface
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Description
Summary:MolProbity is a general-purpose web service offering quality validation for three-dimensional (3D) structures of proteins, nucleic acids and complexes. It provides detailed all-atom contact analysis of any steric problems within the molecules and can calculate and display the H-bond and van der Waals contacts in the interfaces between components. An integral step in the process is the addition and full optimization of all hydrogen atoms, both polar and nonpolar. The results are reported in multiple forms: as overall numeric scores, as lists, as downloadable PDB and graphics files, and most notably as informative, manipulable 3D kinemage graphics shown on-line in the KiNG viewer. This service is available free to all users at http://kinemage.biochem.duke.edu.
ISSN:0305-1048
1362-4962
DOI:10.1093/nar/gkh398