Software news and updates carma: A molecular dynamics analysis program
نویسنده
چکیده
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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ورودعنوان ژورنال:
- Journal of computational chemistry
دوره 27 14 شماره
صفحات -
تاریخ انتشار 2006