Davis Ian W, Murray Laura Weston, Richardson Jane S, Richardson David C
Department of Biochemistry, Duke University, Durham, NC 27710-3711, USA.
Nucleic Acids Res. 2004 Jul 1;32(Web Server issue):W615-9. doi: 10.1093/nar/gkh398.
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.
MolProbity是一项通用的网络服务，可为蛋白质、核酸及复合物的三维（3D）结构提供质量验证。它能对分子内的任何空间问题进行详细的全原子接触分析，并可计算和显示各组分之间界面处的氢键和范德华接触。该过程中的一个重要步骤是添加并全面优化所有极性和非极性氢原子。结果以多种形式呈现：作为总体数值分数、列表、可下载的PDB和图形文件，最显著的是作为在KiNG查看器中在线显示的信息丰富、可操作的3D运动图像图形。所有用户均可在http://kinemage.biochem.duke.edu免费使用此服务。
