Added
- Support for cryo-EM as well as X-ray data.
- Command line documentation.
- Printing of Refmac results to the log file.
- Generic checks that output files exist after running jobs.
- MOLREP job and tests.
- FREERFLAG job and test.
- Coot RSR morph job and test.
- Function to contract common column labels.
- Function to remove residues by name.
- Support for obsolete entries in modelcraft-contents.
- Decorator to run test functions in a temporary directory.
- Function to download files from PDBe
- Nautilus test
- Cryo-EM test
- Refmac jelly-body restraints option
- Sheetbend regularise option
Changed
- Command line arguments.
- Ignoring file extensions when reading structures.
- Input phases not overwritten by dummy atom phases in first cycle.
- Cycles into a list in the JSON output.
- Setting model cell to the same as the MTZ file.
Removed
- Polymer start parameter in the ASU contents description.
- Support for custom Buccaneer, Parrot and Sheetbend paths.
Fixed
- Bug in the Coot side chains script.