choderalab / protons

OpenMM testbed for constant-pH methodologies.

Home Page:http://protons.readthedocs.io/

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Automated plotting module

bas-rustenburg opened this issue · comments

Now that we've settled on a datafile format, we should make a module that can plot the data we have. This should include ways to

  • visualize a calibration
  • visualize an equilibrium simulation
  • visualize NCMC protocols/acceptance rates