Create a module for BAR analysis of calibration data

choderalab / protons

OpenMM testbed for constant-pH methodologies.

http://protons.readthedocs.io/

MIT License

20 stars 13 forks source link

Open bas-rustenburg opened 7 years ago

bas-rustenburg commented 7 years ago

We have settled and fixed most bugs in the netCDF4 format. We should automate the BAR analysis procedure.