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 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.
Glykos
Nicholas M
NM
Department of Molecular Biology and Genetics, Democritus University of Thrace, Dimitras 19, 68100 Alexandroupoli, Greece. glykos@mbg.duth.gr
D003198:Computer Simulation; D046911:Macromolecular Substances / Q000737:chemistry; D009038:Motion; D025341:Principal Component Analysis; D012399:Rotation; D012984:Software; D014867:Water / Q000737:chemistry
D046911:Macromolecular Substances; D014867:Water