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ProtoCaller 1.1.0

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@msuruzhon msuruzhon released this 11 Oct 10:01
· 78 commits to master since this release
  • Now compatible with BioSimSpace 2019.2.0
  • Can now grow out dummy bonds
  • Completely overhauled the Simulation library. Now all GROMACS simulations are done through the Run_GMX class.
  • All print statements are now redirected to a logger instead
  • Automatic conversion of nonstandard amino acids to standard ones using PDBFixer
  • Various API changes and small bug fixes