ProtoCaller 1.2.0

• Replaced htmd-pdb2pqr with pdb2pqr 3.1.0

ProtoCaller 1.1.2

• Compatibility with the new Protein Data Bank API
• Improved compatibility with GROMACS 2020
• Fixed some issues related to cofactors
• Various bug fixes

ProtoCaller 1.1.1

• Now ProtoCaller works with Modeller 9.23
• Users can now select level of model refinement when adding missing protein residues using Modeller from ProtoCaller
• Fixed some path issues in the examples section

ProtoCaller 1.1.0

• 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

ProtoCaller 1.0.0

• First stable version of ProtoCaller
• Compatible with BioSimSpace 2019.1.0