Kleywegt Gerard J, Harris Mark R
Department of Cell and Molecular Biology, Uppsala University, Biomedical Centre, Box 596, SE-751 24 Uppsala, Sweden.
Acta Crystallogr D Biol Crystallogr. 2007 Aug;63(Pt 8):935-8. doi: 10.1107/S090744490703315X. Epub 2007 Jul 17.
A new web-based tool called ValLigURL is described. It can be used by practising crystallographers to validate the geometry of a ligand and to compare the conformation of a ligand with all instances of that ligand in the structural database (wwPDB). In addition, it can be used by structural bioinformaticians to survey the quality or conformational diversity of any ligand across the entire structural database. The server is freely accessible at the URL http://eds.bmc.uu.se/eds/valligurl.php.
介绍了一种名为ValLigURL的新型基于网络的工具。执业晶体学家可以使用它来验证配体的几何结构,并将配体的构象与结构数据库(wwPDB)中该配体的所有实例进行比较。此外,结构生物信息学家可以使用它来调查整个结构数据库中任何配体的质量或构象多样性。该服务器可通过网址http://eds.bmc.uu.se/eds/valligurl.php免费访问。