Wordom: a program for efficient analysis of molecular dynamics simulations 论文

详细信息

发表期刊/会议

Bioinformatics

发表日期

2007-08-23

发表年份

2007

摘要

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