Wordom: A program for efficient analysis of molecular dynamics simulations

TitleWordom: A program for efficient analysis of molecular dynamics simulations
Publication TypeJournal Article
Year of Publication2007
AuthorsSeeber M., Cecchini M., Rao F., Settanni G., Caflisch A.
JournalBioinformatics
Volume23
Issue19
Pagination2625-2627
Date Published2007 Oct 1
Type of ArticleResearch Article
ISSN1367-4811
KeywordsAlgorithms, Computer Simulation, Database Management Systems, Databases, Protein, Information Storage and Retrieval, Models, Chemical, Models, Molecular, Protein Conformation, Proteins, Software, User-Computer Interface
Abstract

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.

DOI10.1093/bioinformatics/btm378
pubindex

0087

Alternate JournalBioinformatics
PubMed ID17717034
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