Kumar, Dinesh KS and Gurusaran, M and Satheesh, SN and Radha, P and Pavithra, S and Tharshan, Thulaa KPS and Helliwell, John R and Sekar, K (2015) Online_DPI: a web server to calculate the diffraction precision index for a protein structure. In: JOURNAL OF APPLIED CRYSTALLOGRAPHY, 48 (3). pp. 939-942.
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An online computing server, Online_DPI (where DPI denotes the diffraction precision index), has been created to calculate the `Cruickshank DPI' value for a given three-dimensional protein or macromolecular structure. It also estimates the atomic coordinate error for all the atoms available in the structure. It is an easy-to-use web server that enables users to visualize the computed values dynamically on the client machine. Users can provide the Protein Data Bank (PDB) identification code or upload the three-dimensional atomic coordinates from the client machine. The computed DPI value for the structure and the atomic coordinate errors for all the atoms are included in the revised PDB file. Further, users can graphically view the atomic coordinate error along with `temperature factors' (i.e. atomic displacement parameters). In addition, the computing engine is interfaced with an up-to-date local copy of the Protein Data Bank. New entries are updated every week, and thus users can access all the structures available in the Protein Data Bank. The computing engine is freely accessible online at http://cluster.physics.iisc.ernet.in/dpi/.
| Item Type: | Journal Article |
|---|---|
| Publication: | JOURNAL OF APPLIED CRYSTALLOGRAPHY |
| Publisher: | WILEY-BLACKWELL |
| Additional Information: | Copy right for this article belongs to the WILEY-BLACKWELL, 111 RIVER ST, HOBOKEN 07030-5774, NJ USA |
| Keywords: | estimated atomic coordinate errors; protein data bank entries |
| Department/Centre: | Division of Interdisciplinary Sciences > Supercomputer Education & Research Centre |
| Date Deposited: | 19 Jul 2015 06:15 |
| Last Modified: | 19 Jul 2015 06:15 |
| URI: | http://eprints.iisc.ac.in/id/eprint/51818 |
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