Releases: paulsbond/modelcraft
Releases · paulsbond/modelcraft
v5.0.1
Changed
- Gemmi fractionalization_matrix to frac.mat and orthogonalization_matrix to orth.mat.
v5.0.0
Added
- EM --half-maps, --single-map and --build-map arguments.
Changed
- EM --mask argument default to None with 'auto' as an option for EMDA mapmask.
Removed
- EM --map and --blur arguments.
v4.0.2
Fixed
- Crash when no residues are built.
v4.0.1
Fixed
- Monomer library groups when a residue name is not in the library
v3.6.0
Changed
- X-ray pipeline to run Buccaneer and Nautilus separately and combine the results
- Reporting numbers of protein and nucleic acid residues
v3.5.3
Fixed
- Dummy atoms are now oxygen atoms instead of sodium atoms
v3.5.2
Changed
- Output MTZ file to be the same as HKLOUT from the Refmac job
v3.5.1
Changed
- Water chain naming to try to be compatible with PDB format
v3.5.0
Added
- Option --threads to allow Buccaneer to use multiprocessing