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Software news and updates carma: A molecular dynamics analysis program

✍ Scribed by Nicholas M. Glykos

Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
284 KB
Volume
27
Category
Article
ISSN
0192-8651

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✦ Synopsis

Abstract

A computer program has been developed to aid the analysis of molecular dynamics trajectories. The program is tuned for macromolecular large‐scale problems and supports features such as removal of global translations‐rotations of the solute, calculation of average distance maps and their corresponding standard deviations, calculation of the variance‐covariance and cross‐correlation matrices, and principal component analysis of trajectories with the added ability to create artificial trajectories based on selected eigenvectors. Limited graphics (trajectory viewing) capabilities are also available. © 2006 Wiley Periodicals, Inc. J Comput Chem, 2006

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