title: ValLigURL: a server for ligand-structure comparison and validation.
abstract: 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.
authors.affiliation: Department of Cell and Molecular Biology, Uppsala University, Biomedical Centre, Box 596, SE-751 24 Uppsala, Sweden. gerard@xray.bmc.uu.se
authors.forename: Gerard J
authors.initials: GJ
authors.lastname: Kleywegt
authors.forename: Mark R
authors.initials: MR
authors.lastname: Harris
mesh_terms: D019295:Computational Biology / Q000379:methods*; D016208:Databases, Factual; D020407:Internet; D008024:Ligands; D008958:Models, Molecular; D008968:Molecular Conformation; D009169:Mycobacterium tuberculosis / Q000737:chemistry; D009249:NADP / Q000737:chemistry; D015203:Reproducibility of Results
chemical_list: D008024:Ligands; D009249:NADP