title: WIWS: a protein structure bioinformatics Web service collection.
abstract: The WHAT IF molecular-modelling and drug design program is widely distributed in the world of protein structure bioinformatics. Although originally designed as an interactive application, its highly modular design and inbuilt control language have recently enabled its deployment as a collection of programmatically accessible web services. We report here a collection of WHAT IF-based protein structure bioinformatics web services: these relate to structure quality, the use of symmetry in crystal structures, structure correction and optimization, adding hydrogens and optimizing hydrogen bonds and a series of geometric calculations. The freely accessible web services are based on the industry standard WS-I profile and the EMBRACE technical guidelines, and are available via both REST and SOAP paradigms. The web services run on a dedicated computational cluster; their function and availability is monitored daily.
authors.affiliation: Centre for Molecular and Biomolecular Informatics, Nijmegen Centre for Molecular Life Sciences, Radboud University Nijmegen Medical Centre, 6525 GA 26 Nijmegen, The Netherlands.
authors.forename: M L
authors.initials: ML
authors.lastname: Hekkelman
authors.forename: T A H
authors.initials: TA
authors.lastname: Te Beek
authors.forename: S R
authors.initials: SR
authors.lastname: Pettifer
authors.forename: D
authors.initials: D
authors.lastname: Thorne
authors.forename: T K
authors.initials: TK
authors.lastname: Attwood
authors.forename: G
authors.initials: G
authors.lastname: Vriend
mesh_terms: D019295:Computational Biology; D003196:Computer Graphics; D020407:Internet; D008958:Models, Molecular; D011487:Protein Conformation; D012984:Software