title: MOLPROBITY: structure validation and all-atom contact analysis for nucleic acids and their complexes.
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.
authors.affiliation: Department of Biochemistry, Duke University, Durham, NC 27710-3711, USA.
authors.forename: Ian W
authors.initials: IW
authors.lastname: Davis
authors.forename: Laura Weston
authors.initials: LW
authors.lastname: Murray
authors.forename: Jane S
authors.initials: JS
authors.lastname: Richardson
authors.forename: David C
authors.initials: DC
authors.lastname: Richardson
mesh_terms: D006860:Hydrogen Bonding; D020407:Internet; D046911:Macromolecular Substances; D008958:Models, Molecular; D015394:Molecular Structure; D009690:Nucleic Acid Conformation; D009696:Nucleic Acids / Q000737:chemistry; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry; D015203:Reproducibility of Results; D012984:Software; D014584:User-Computer Interface
chemical_list: D046911:Macromolecular Substances; D009696:Nucleic Acids; D011506:Proteins