v3.4.0

Added

• Option --mask to provide a custom mask in EM mode instead of using EMDA mapmask

v3.3.0

Changed

• Refinement now uses refmacat instead of refmac5

v3.2.0

Changed

• Refine input model with and without Sheetbend and choose the best result
• Tests of monomer library entries
• TOXD pipeline test

v3.1.1

Changed

• Refmac result to include initial R-work, R-free and FSC values
• Refmac test

v3.1.0

Added

• Command line option: --overwrite-directory
• Writing current.cif and current.mtz while running

v3.0.0

Added

• New EM pipeline starting from either halfmaps or a single map with optional blurring
• EMDA map mask job
• Servalcat trim, refine, FSC and NE map jobs
• Refmac map to MTZ job
• Libg job (not yet exposed)
• Support for a user-supplied restraints dictionary for ligands
• CCP-EM program tests
• Renaming SUL residues to SO4 and HOH O1 atoms to O on reading a structure

Changed

• Renamed RefmacXray to Refmac
• Flushing print statements so they are written when piping to a file

Removed

• Refmac EM job

v2.4.1

Fixed

• Catching connection errors when requesting PDB entry contents
• Ensuring MTZ data items use the same ASU definition

v2.4.0

Changed

• Comparing per-cycle outputs using R-work instead of R-free

Fixed

• Nautilus test that was looking for a space in a residue name

v2.3.6

Fixed

• Trimming spaces from residue names when reading structures

v2.3.5

Changed

• Aligned columns in mmCIF output
• CCP4 map setup in EM mode for Gemmi version 0.5.3+