Software news and updates. Carma: a molecular dynamics analysis program |
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| Authors: | Glykos Nicholas M |
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| Institution: | Department of Molecular Biology and Genetics, Democritus University of Thrace, Dimitras 19, 68100 Alexandroupoli, Greece. glykos@mbg.duth.gr |
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| 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. |
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| Keywords: | molecular dynamics principal component analysis essential dynamics trajectory viewer |
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