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Wordom: a program for efficient analysis of molecular dynamics simulations


Seeber, M; Cecchini, M; Rao, F; Settanni, G; Caflisch, A (2007). Wordom: a program for efficient analysis of molecular dynamics simulations. Bioinformatics, 23(19):2625-2627.

Abstract

Summary: Wordom is a versatile program for manipulation of molecular dynamics trajectories and efficient analysis of simulations. Original tools in Wordom include a procedure to evaluate significance of sampling for principal component analysis as well as modules for clustering multiple conformations and evaluation of order parameters for folding and aggregation. The program was developed with special emphasis on user-friendliness, effortless addition of new modules and efficient handling of large sets of trajectories. Availability: The Wordom program is distributed with full source code (in the C language) and documentation for usage and further development as a platform-independent package under a GPL license from http://www.biochem-caflisch.unizh.ch/wordom/ Contact: caflisch@bioc.unizh.ch

Abstract

Summary: Wordom is a versatile program for manipulation of molecular dynamics trajectories and efficient analysis of simulations. Original tools in Wordom include a procedure to evaluate significance of sampling for principal component analysis as well as modules for clustering multiple conformations and evaluation of order parameters for folding and aggregation. The program was developed with special emphasis on user-friendliness, effortless addition of new modules and efficient handling of large sets of trajectories. Availability: The Wordom program is distributed with full source code (in the C language) and documentation for usage and further development as a platform-independent package under a GPL license from http://www.biochem-caflisch.unizh.ch/wordom/ Contact: caflisch@bioc.unizh.ch

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Additional indexing

Item Type:Journal Article, refereed, original work
Communities & Collections:National licences > 142-005
Dewey Decimal Classification:Unspecified
Language:English
Date:1 October 2007
Deposited On:23 Oct 2018 17:25
Last Modified:26 Oct 2018 10:28
Publisher:Oxford University Press
ISSN:1367-4803
OA Status:Green
Free access at:Publisher DOI. An embargo period may apply.
Publisher DOI:https://doi.org/10.1093/bioinformatics/btm378
Related URLs:https://www.swissbib.ch/Search/Results?lookfor=nationallicenceoxford101093bioinformaticsbtm378 (Library Catalogue)
PubMed ID:17717034

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