VMD Extension Functions
VMD extension functions

A collection of TCL-VMD functions that support a number of structural transformations and shortcuts for TCL-VMD programmers. Features easy-to-remember semantics to

  • Iterate a block of code over frames
  • Iterate a block of code over trajectory files
  • Compute the number and fraction of native contacts
  • Compute distance matrices
  • Compute root-mean-square alignments and related measures
  • Use the topology stored in a GROMACS' TPR format
  • ...and many more

Please refer to the table of contents for the full feature list.

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