hooray NCS now works properly (LSQ not SSM)
thanks Paul, Bernhard & Kevin
Phil
On 15 Dec 2008, at 23:42, Paul Emsley wrote:
We are pleased to announce the release of Coot-0.5.2.
This is mostly a bug-fix release (of 0.5/0.5.1) but a few new
features sneaked in too.
source:
http://www.ysbl.york.ac.uk/~emsley/software/coot-0.5.2.tar.gz
binaries:
http://www.ysbl.york.ac.uk/~emsley/software/binaries/stable/
Thanks,
Paul
Bernhard
Kevin
--
o FEATURE: A "Delete Molecule" button is now available in the
Display Manager [TJS].
o FEATURE: show-rotamer-dialog is now available from the scripting
layer (hence `quick rotamer' keybinding) [FvD].
o FEATURE: Manual definition of NCS ghost matrices - GUI added.
o FEATURE: overlay-my-ligands function introduced - GUI added.
o FEATURE: A simple interface to electrostatic surfaces has been
introduced (Extensions -> Representations).
o FEATURE: rotate-chi feature introduced. For use with a PowerMate.
o FEATURE: keyboard-based Go To Residue for quicker navigation.
o CHANGE: NCS ghost work using LSQ to get the matrix, not SSM.
o CHANGE: Display manager toggle buttons replaced with check
buttons.
o CHANGE: make-dynamically-transformed-ncs-maps takes an extra
argument specifying if new maps should overwrite previous maps of
the same name.
o CHANGE: Extensions menu re-worked.
o CHANGE: Keyboard zooming is now smoothed.
o BUG-FIX: the chi angle bond highlighting works again.
o BUG-FIX: The Cancel button in Save Restraints now works.
o BUG-FIX: Check/Delete waters in Check mode no longer causes a
crash when the "Close" button is clicked.
o BUG-FIX: Atom elements are inferred from the atom name.
o BUG-FIX: writing of cifs from the Restraints editor has been
improved [JED].
o BUG-FIX: chiral restraints specified as "BOTH" can now be edited.
o BUG-FIX: "Flip peptide" now flips the peptide H atom too
[Joel Bard].
o BUG-FIX: Ligands can now have their torsions manipulated in
CA+Ligands mode [Ingo Korndoerfer].
o BUG-FIX: NCS residue range edits now apply to more than the first
peer.
o BUG-FIX: Coot now can read PART cards with a site occupancy
factor from a SHELXL .res file [Mirek Gilski].
o BUG-FIX: Fixed crash on using multiple geometry (Distance and
Angles) dialogs.
o BUG-FIX: The Reset View button has been reworked.
o BUG-FIX: Ball & Stick additional representations has been
reworked and now move as the molecule gets updated.
o BUG-FIX: Ramachandran improvement function has been improved.
o BUG-FIX: Rotamers and simple refinement now work with residues
with insertion codes.
o BUG-FIX: The rotamer graph no longer rescales on updating a
molecule.
