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@yutakasi634 yutakasi634 released this 23 Mar 10:27
· 6 commits to master since this release

The first release of MolHandler.jl!

This supports the following features.

  • Importing and exporting information of molecular structure or trajectory file, written by dcd, pdb, xyz format.
  • Analyzing contact of imported trajectory.
  • Handling the trajectory with periodic boundary conditions.
  • Get fundamental information of each molecule (e.g. center of mass, radius of gyration, etc...).