---
layout: post
title:  "Release 0.9.6"
date: Tue 6 Jul 02:52:13 BST 2021
---

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

