Modelcraft

Fixed

- CCP4i2 demo data path for Molrep tests in CCP4 8.0
- Expected R-factors and FSC for CCP4 8.0 Refmac test

Added

- Function to calculate geometry RMSZ for residues in the monomer library
- Argument tests

Changed

- Runs inside a new directory to remove the chance of overwriting files
- Read multiple observation types (e.g. F,SIGF and I,SIGI) at once by default
- Errors if 0% or >50% of the reflections are in the free set

Fixed

- Input phase labels for parrot and comit
- Main module execution using -m

Added

- Phase match job and tests
- Refmac resolution and completeness

Fixed

- Termination after Buccaneer builds no residues

Added

- Usage of alpha and gamma angles when determining the spacegroup of a structure

Fixed

- Check on identical space groups due to differences such as R 3 vs H 3

Fixed

- Test that expected 0PR not to be in the monomer library.