TY - JOUR KW - Computer Simulation KW - Models, Molecular KW - Algorithms KW - Protein Conformation KW - Models, Chemical KW - Proteins KW - Software KW - Databases, Protein KW - Database Management Systems KW - Information Storage and Retrieval KW - User-Computer Interface AU - M. Seeber AU - M. Cecchini AU - F. Rao AU - G. Settanni AU - A. Caflisch AB -
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.
BT - Bioinformatics C1 - 0087 DA - 2007 Oct 1 DO - 10.1093/bioinformatics/btm378 IS - 19 J2 - Bioinformatics LA - eng M3 - Research Article N2 -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.
PY - 2007 SP - 2625 EP - 2627 T2 - Bioinformatics TI - Wordom: A program for efficient analysis of molecular dynamics simulations VL - 23 SN - 1367-4811 ER -