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

Ian W Davis·Laura Weston Murray·Jane S Richardson·David C Richardson
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Abstract

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.

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Hydrogen BondingInternetMacromolecular SubstancesModels, MolecularMolecular StructureNucleic Acid ConformationNucleic AcidsProtein ConformationProteinsReproducibility of ResultsSoftwareUser-Computer InterfaceJournal Article

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Ian W Davis, Laura Weston Murray, Jane S Richardson, David C Richardson. 2004-07-01. MOLPROBITY: structure validation and all-atom contact analysis for nucleic acids and their complexes.. https://doi.org/10.1093/nar%2Fgkh398

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