Skip to content

0.1.0

Pre-release
Pre-release
Compare
Choose a tag to compare
@jchodera jchodera released this 30 Apr 22:19
· 42 commits to master since this release
0.1.0
c90228e

Initial experimental conda release.

Features:

  • Will be conda-installable!
  • nosetests!
  • Automated extraction, concatenation, and solvent stripping of FAH trajectories from core17/21
  • Can specify separate MDTraj DSL selections for stripping out protein and parts of the system of interest
  • Cycle through multiple projects fairly
  • Parallel processing with some build-in safety
  • Automatic detection and regeneration of corrupted HDF5 files
  • Automatically clean up tmpfiles
Assets 2
Loading