Hydrogen Bonds Computing Server (HBCS): an online web server to compute hydrogen-bond interactions and their precision

Gurusaran, M and Sivaranjan, P and Kumar, Dinesh KS and Radha, P and Tharshan, Thulaa KPS and Satheesh, SN and Jayanthan, K and Ilaiyaraja, R and Mohanapriya, J and Michael, Daliah and Sekar, K (2016) Hydrogen Bonds Computing Server (HBCS): an online web server to compute hydrogen-bond interactions and their precision. In: JOURNAL OF APPLIED CRYSTALLOGRAPHY, 49 (2). pp. 642-645.

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Abstract

Hydrogen bonds in biological macromolecules play significant structural and functional roles. They are the key contributors to most of the interactions without which no living system exists. In view of this, a web-based computing server, the Hydrogen Bonds Computing Server (HBCS), has been developed to compute hydrogen-bond interactions and their standard deviations for any given macromolecular structure. The computing server is connected to a locally maintained Protein Data Bank (PDB) archive. Thus, the user can calculate the above parameters for any deposited structure, and options have also been provided for the user to upload a structure in PDB format from the client machine. In addition, the server has been interfaced with the molecular viewers Jmol and JSmol to visualize the hydrogen-bond interactions. The proposed server is freely available and accessible via the World Wide Web at http://bioserver1.physics.iisc.ernet.in/hbcs/.

Item Type:	Journal Article
Publication:	JOURNAL OF APPLIED CRYSTALLOGRAPHY
Publisher:	INT UNION CRYSTALLOGRAPHY
Additional Information:	Copy right for this article belongs to the INT UNION CRYSTALLOGRAPHY, 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
Keywords:	X-ray crystallography; protein structures; hydrogen-bond interactions; standard deviations; structural biology
Department/Centre:	Division of Interdisciplinary Sciences > Supercomputer Education & Research Centre
Date Deposited:	11 May 2016 06:44
Last Modified:	11 May 2016 06:44
URI:	http://eprints.iisc.ac.in/id/eprint/53783

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