[Objcryst-foxx] New Fox release - 1.7.6.2 (#996)
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vincefn
From: Vincent Favre-N. <vi...@us...> - 2008-04-28 21:52:42
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Hi, I just uploaded a new version of Fox. it adds a few features (Fourier maps for single crystal data, persistent resolution for Fourier maps using extracted intensities), and fixes a few bugs (notably with auto-indexing and related to locks/crashes under Linux with 3D display during the optimisation). Update is strongly recommended ! NOTE: I am currently testing using molecular dynamics to solve the conformation of flexible molecules with internal constraintes (e.g. flexible cycles with > 6 atoms). I have a few test data, but if you have more it could be useful. I hope to have a beta version soon. You can get the new version from : http://sourceforge.net/project/platformdownload.php?group_id=27546 Recent changes: #### 1.7.6.2 - April 2008 (Revision #996) NEW FEATURES * Support Fourier maps for single crystal data * Display Fourier maps with the original resolution used for the extraction, no matter what resolution is used afterwards (e.g. during the optimisation) IMPROVEMENTS * More efficient random moves for molecules, particularly for large molecules or with flexible cycles. * Better automatic changes of temperature for parallel tempering * Linux: enable compilation using "make -jN" (j2, j4...) * Nicer atom drawing. Force double buffering BUG FIXES * Fixed incorrect formula for sample displacement * Linux: avoid lock of optimisation when 3D view is opened * Correct monoclinic indexing * Fix issue with manual auto-indexing * Disable auto-check for updates (could crash under Linux when no network can be reached) The full list of changes can be read on: http://objcryst.sourceforge.net/Fox/Changelog -- Vincent Favre-Nicolin Université Joseph Fourier http://v.favrenicolin.free.fr ObjCryst & Fox : http://objcryst.sourceforge.net |