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Software news and updates carma: A molecular dynamics analysis program

Nicholas M. Glykos

📖 Journal of Computational Chemistry → 📅 2006-08-17 🔗 DOI: 10.1002/jcc.20482

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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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