Hi, Congratulations for the great software!
Will be a 64 bits version of coot 0.5 released? The built-it tool worked very well for me and I could compile coot-pre 0.5 for my 64 bits machine perfectly (what increased its performance, mainly on stepped refinment). But with popularization of 64 bits platforms, a pre- compiled 64 bits version will be very apreciated, mainly by those who has no deeper knowledge in compilation. Thank you! On Wed, 24 Sep 2008 14:25:39 +0100, Paul Emsley wrote > The Coot Team are pleased to announce the release of Coot-0.5 Ueno. > > source: http://www.ysbl.york.ac.uk/~emsley/software/coot-0.5.tar.gz > binaries: http://www.ysbl.york.ac.uk/~emsley/software/binaries/stable > (binaries for other platforms will be appearing in due course). > > Paul. > > ---- > > Release 0.5 Ueno > > o FEATURE: Coot now has a Preferences dialog. > > o FEATURE: Coot now is PDB version 3.0 compliant. > > o FEATURE: Additional Representations added [Tadeusz Skarzynski]. > > o FEATURE: "Fixed Atoms" for refinement have been introduced. > > o FEATURE: Monomer restraints can be edited in a GUI and are > exported to the scripting layer. > > o FEATURE: Coot can now make difference maps. > > o FEATURE: The state file now remembers the refinement map number > [Herb Klei]. > > o FEATURE: Add dialog position preferences to Extensions. > > o FEATURE: The state file now remembers the scroll-wheel (contour > changing) map [Kevin Madauss]. > > o FEATURE: Add a variable reduce-molecule-updates-current, that > when set by the user causes an update of the probed molecule, not > the generation of a new one [Bob Nolte]. > > o FEATURE: Add Terminal Residue now assigns the correct residue > type (if a PIR sequence has been given for side-chain docking) > [Bob Nolte]. > > o FEATURE: "Pukka Puckers?" validation tool for RNA. Based on > Davis et al. (2007) Molprobity: all atom contacts and structure > validation for proteins and nucleic acids, Nucleic Acids > Research 35, W375-W383. > > o FEATURE: "Active site" hilighting. Cheep and cheerful solid > modelling of ligand and neighbouring residues [Herb Klei]. > > o FEATURE: Double-clicking on an atom labels it (CCP4mg > compatibility). > > o FEATURE: "Eigen-flip" function added. Use to quickly flip around > ligands. > > o FEATURE: it is now possible to add a setting so that atoms with > zero occupancy are not moved when refining: > set-refinement-move-atoms-with-zero-occupancy [Rajiv Chopra] > > o FEATURE: Refmac can be run from Coot without the user having to > explicitly set the column labels. > > o FEATURE: NCS Copy Chain is now available as a GUI extension. > > o FEATURE: The ability to turn on chi angles that move hydrogens > is now available from the Chi Angles dialog. > > o FEATURE: The "About" dialog contains references. > > o CHANGE: Key bindings mechanism has changed. Now we are able to > display key binding in a GUI widget. > > o CHANGE: Molprobity Tools (probe and reduce) will only now work > with those binaries that are hybrid_36 enabled. > > o CHANGE: Picking has been changed to somewhat favour those atoms > at the front of the slab. > > o CHANGE: When deleting a residue while displaying validation > graphs, the graphs get updated immediately [JED] > > o CHANGE: In CA display mode, only CAs can now be picked. > > o CHANGE: Nudge centre axes are now relative to the screen rather > than in world coordinates. > > o CHANGE: NCS skipping changed. Hopefully faster now [Steven > Sheriff]. Also works in the case of hetero dimers with NCS [Phil > Evans]. > > o CHANGE: default bond width changed to 5. > > o CHANGE: Traffic lights verticalized. > > o CHANGE: Symmetry colour info added to state file [Doug Kuntz]. > > o CHANGE: the argument order for "mutate" scripting function > have been canonicalised. > > o CHANGE: set-symmetry-colour-merge now takes only a fraction > argument. > > o CHANGE: Mutate no longer changes the atom order in the pdb file. > > o CHANGE: Next Residue/Previous residue reworked so that it now > jumps over gaps and goes to the right residue when encountering > insertion codes. > > o CHANGE: Don't allow translation drag of intermediate atoms during > rotamer selection. > > o CHANGE: Reference structures now have strand markup in the > header, so they can now be used as the reference structures for > "Build Strand". > > o CHANGE: Bond parameters changes (bond width and hydrogens > state) now work immediately, no need to press the "Apply" > button [FvD]. > > o CHANGE: Colour by Chain style also now displays zero occupancy > markers [PRE]. > > o CHANGE: Modelling toolbar can now be removed or docked in > different positions. > > o BUG-FIX: chiral volumes are now correctly handled for multiple > monomer bespoke ligand dictionaries. > > o BUG-FIX: Hydrogens names are better handled after an undo > operation - no longer do they fly off when refining [Joel Bard] > > o BUG-FIX: Non-flexible ligands can be added to ligand search > when the "flexible?" option is selected. Previously the ligand > search was aborted. > > o BUG-FIX: Flexible ligand fitting when the torsion period is 0 and > for ligands that have bonding defined from a cif file (no atom > left behind). > > o BUG-FIX: side-by-side stereo mode improved [Randy Read]. > > o BUG-FIX: Now coot does not crash on when displaying NPD atoms > in anisotropic representation [Mitch Miller]. > > o BUG-FIX: Now coot does not crash when opening "Cell & Symmetry" > with no molecules loaded. > > o BUG-FIX: Coot no longer crashes when deleting a residue with an > Alt Conf [JED]. > > o BUG-FIX: Coot can now do rotamers on a MSE residue [Mark Saper] > > o BUG-FIX: Can now read SHELXL .ins files with lowercase symops. > > o BUG-FIX: On additions to a SHELXL molecule: better handling of > UNIT and SFAC cards [GMS]. > > o BUG-FIX: EQUIV cards from SHELXL handled better. > > o BUG-FIX: Adding waters to a SHELXL molecule now adds them with > default occupancy 11.0 [Tobias Beck] > > o BUG-FIX: Go To Atom dialog is properly updated on merging > molecules. > > o BUG-FIX: Coot no longer crashes when opening the Bond > Parameters dialog before a pdb file has been read. > > o BUG-FIX: NCS Loop function now properly mutates residues in the > peer chains [PRE]. > > o BUG-FIX: Add Terminal Residue deletes the TER record (if it > existed) of previous C-terminus [PRE]. > > o BUG-FIX: Povray output improved. > > o BUG-FIX: The representation is no longer changed after editing > atoms in CA+ligs representation. > > ----- Leonardo Palmieri Doutorando em Química Biológica, IBqM, UFRJ
