MolProbity: all-atom contacts and structure validation for proteins and nucleic acids.

Abstract:

:MolProbity is a general-purpose web server offering quality validation for 3D structures of proteins, nucleic acids and complexes. It provides detailed all-atom contact analysis of any steric problems within the molecules as well as updated dihedral-angle diagnostics, and it 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. New analysis functions have been added for RNA, for interfaces, and for NMR ensembles. Additionally, both the web site and major component programs have been rewritten to improve speed, convenience, clarity and integration with other resources. MolProbity results are reported in multiple forms: as overall numeric scores, as lists or charts of local problems, as downloadable PDB and graphics files, and most notably as informative, manipulable 3D kinemage graphics shown online in the KiNG viewer. This service is available free to all users at http://molprobity.biochem.duke.edu.

journal_name

Nucleic Acids Res

journal_title

Nucleic acids research

authors

Davis IW,Leaver-Fay A,Chen VB,Block JN,Kapral GJ,Wang X,Murray LW,Arendall WB 3rd,Snoeyink J,Richardson JS,Richardson DC

doi

10.1093/nar/gkm216

subject

Has Abstract

pub_date

2007-07-01 00:00:00

pages

W375-83

issue

Web Server issue

eissn

0305-1048

issn

1362-4962

pii

gkm216

journal_volume

35

pub_type

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