Dear CCP4bbers, We are pleased to announce the (slightly delayed) third anniversary release of coot:
source: http://www.ysbl.york.ac.uk/~emsley/software/coot-0.3.tar.gz binaries: http://www.ysbl.york.ac.uk/~emsley/software/binaries/stable/ Happy Easter. Paul. Release 0.3 "Basil Grande" o Fixed crash on closing Baton Guide Points molecule [Richard Baxter]. o Fixed crash on manipulating N-terminal backbone angles [Richard Baxter]. o Concept of "Active Residue" added [Frank von Delft]. Added trivial functions, (refine-active-residue), (refine-active-residue-triple) and (autofit-rotamer-active-residue), so that users can bind them to their own key choices. o Use "Active Residue" concept to navigate and update "Go To Atom" parameters [Bob Nolte]. o Skip to next NCS Chain function added [Robert Xu]. o Rationalized hydrogen usage in ligand fitting [Bob Nolte]. o Added template/graph residue matching function. o Fixed problem of display lists and second GL context (i.e. side-by-side stereo with density problems). o Add a function to return all the dictionaries read [JED]. o Added function to find and produce an "interesting things GUI" for residues with alternate conformations. This is an instance of a more-general purpose function of any scriptable test on a residue producing a GUI [John MacLean]. o fit-protein function now refines residues with alternate conformations [it doesn't rotamer-search the alternate conformations]. o set-rotate-translate-zone-rotates-about-zone-centre function added [Martyn Symmons]. Added and Extensions GUI for this too. o New atoms have a default B factor that can be set by the user (using set-default-temperature-factor-for-new-atoms). o Auto-fit rotamer with hydrogens now works better. o Secondary Structure Restraints buttons are properly set on generating the dialog. o No longer try to read various SHELX keywords as atoms when trying to read a SHELXL .res file [George Sheldrick]. o SHELX log file reader accounts for alternative conformations [Bernhard Lohkamp]. o findligand ligand fitting gives more useful output [Ingo Korndoerfer]. o Clear up left-over scraps in mainchain building, freeing memory [Joel Bard]. o Fixed problem of occupancy changes being ignored [Iain Kerr]. o An unphased mtz file should run REFMAC for 0 cycles to produce phases [Tadeusz Skarzynski]. o Fixed crash on scripting ligand fitting [Ingo Korndoerfer]. o Added a scripting function to exit coot (coot-real-exit) [Joel Bard]. o get-symmetry function added to return a list of symops. o Add Terminal Residue works for just one residue. o Rigid Body Refinement of a fragment containing residues with occupancy zero improved, hence "Place Helix Here" may be improved. o "Same Chain?" test applied to Rotate/Translate and Rigid Body Refine Zone atom picks [Bob Nolte].
