Software news and updates carma: A molecular dynamics analysis program

: 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 variancecovariance 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.

• Type: Journal
• Year: 2006
• Where: JCC
• Authors: Nicholas M. Glykos
• Keywords: Corresponding Standard Deviations, JCC 2006, Macromolecular Large-scale Problems, Molecular Dynamics Trajectories