Release 0.9.6
Coot-0.9.6 was released 2nd July 2021.
Source:
https://www2.mrc-lmb.cam.ac.uk/personal/pemsley/coot/source/releases/coot-0.9.6.tar.gz
Binaries:
https://www2.mrc-lmb.cam.ac.uk/personal/pemsley/coot/binaries/release
Release Notes for 0.9.6
o FEATURE: Middle-mouse and double-clicking on moving atoms is now enabled (for recentre and label)
o FEATURE: -P mode added to pyrogen (no coordinates optimization)
o FEATURE: model_correlation_stats_per_residue_range() added to the API
o FEATURE: Molecular (i.e. not crystallographic) symmetry added
o FEATURE: coot-find-ligand has a mode to merely generate conformers
o FEATURE: added function to the API to flip the side-chain of the active atom of the moving atoms: side-chain-flip-180-intermediate-atoms [Oliver Clarke]
o FEATURE: New program coot-identify-protein, identifies a protein from a poly-ALA fragment and a set of sequences
o CHANGE: Adjust the NBC model once more for 1-4 atoms involving Hydrogen atoms
o CHANGE: Water-water contacts are now considered by default in atom overlap analysis
o CHANGE: Adjust the initial RSR step size (no more wild water refinement)
o CHANGE: Increase the initial step size for refinement for large fragments
o CHANGE: Post-refinement restraints analysis added
o CHANGE: Trans-peptide restraints added/removed as needed for cis-trans conversion of intermediate atoms
o CHANGE: API accept_moving_atoms() can now return the refinement results
o CHANGE: Remove libcheck as a restraints generator option
o CHANGE: Turn off EM-mode for PANDDA maps (Frank von Delft)
o CHANGE: “Residues with missing atoms” function no longer considers OP3. Additionally, missing atom names are written to the terminal (Lothar Essar)
o CHANGE: MMFF94 target geometry now used in minimization in pyrogen by default
o CHANGE: Atom Overlaps optional toolbutton added
o BUG-FIX: Linking (shell) to the Coot executable now works (Marcin Wodjyr)
o BUG-FIX: –ccp4 mode fixed/improved
o BUG-FIX: Clean up bit-rotten chemical feature clustering
o BUG-FIX: rotamer-fit now runs the post-manipulation hook
o BUG-FIX: No longer fail to load scheme scripts if the user-name is not in the passwd file
o BUG-FIX: Better crash-catcher diagnostics (thanks Kevin Cowtan)
o BUG-FIX: Chiral restraints improved in pyrogen (Rob Nicholls)
o BUG-FIX: add-hydrogen-atoms no longer adds a hydrogen atom to an CYS SG if it is linked