Software news and updates. Carma: a molecular dynamics analysis program

J Comput Chem. 2006 Nov 15;27(14):1765-8. doi: 10.1002/jcc.20482.


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.

MeSH terms

  • Computer Simulation*
  • Macromolecular Substances / chemistry
  • Motion
  • Principal Component Analysis
  • Rotation
  • Software*
  • Water / chemistry


  • Macromolecular Substances
  • Water