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Oxford University Press, Nucleic Acids Research, Web Server(38), p. W719-W723, 2010

DOI: 10.1093/nar/gkq453

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WIWS: a protein structure bioinformatics Web service collection

Journal article published in 2010 by T. A. H. te Beek, T. A. H. te Beek, M. L. te Beek T. A. H. Pettifer S. Thorne D. Attwood T. K. & Vriend G. Hekkelman ORCID, S. R. Pettifer, D. Thorne, T. K. Attwood, G. Vriend
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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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.