- Jun 6 2014. Code is now available through GitHub.
The iTrajComp VMD plugin is a general analysis tool for trajectories. It can be used to calculate and analyze trajectories of molecular structures in an interactive way. Available calculations include:
- number of contacts within a cutoff
- number of hydrogen bonds within a cutoff, angle
- labels: bonds, angles, dihedrals
- radius of gyration
- covariance matrix
- distance matrix
The latest code is now accesible through its GitHub repository. Contact the author if you need an old version.
Documentation can be found in the GitHub repository.
Weill Cornell Medical College
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Send comments and feedback to Luis Gracia.