Re: [Objcryst-foxx] Fox version 2016.2
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vincefn
From: Vincent Favre-N. <fa...@es...> - 2016-11-13 22:01:10
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Dear all, A new (pre-release) version of Fox is available from: https://github.com/vincefn/objcryst/releases/tag/v2016.2 (see bottom of page for binaries for MacOS, Windows and Linux) This new version fixes a few issues found with the last release. Again, please send me any observation you have with steps to reproduce. Upgrade is strongly advised. List of changes is below. Best wishes, Vincent #### 2016.2 (13 November 2016) IMPROVEMENTS * faded atoms which are part of a Molecule which is centered in the display region are displayed with their names (if displaying names is activated). * CIF import: more informative messages when loading diffraction data * CIF import: better recognition of Molecules with higher coordination centers (Li,..), accept more polyhedra BUG FIXES * correctly save optically active/non-flip atom status in .xmlgz files * correct bug in Le Bail mode/profile fitting which could lead to a crash #### 2016.1 (6 November 2016) NEW FEATURES * direct search on the Crystallography Open Database: - search using keywords, formula or lattice parameters - double-click to display the Crystal structure (this requires access to the default database port, 3306. Some firewalls may prevent that) * automatically recognizing Molecules and isolated polyhedra from CIF files * ability to combine several powder diffraction data sets from different temperatures (or any other variable condition) to solve a single crystal structure (it is possible to override the lattice parameters in the powder pattern diffraction) * the extension for .xml.gz files is now .xmlgz * define 'optically active atoms' than will no be flipped during global (Jan Rohlicek) optimization (previously this was only possible using dihedral restraints) * support for anisotropic pseudo-Voigt profiles * support for ellipsoid texture description (Alexandr Zaloga) IMPROVEMENTS * faster, more robust CIF import * better flexibility search for Molecules * 3D display: - nicer using transparency (can be disabled from preferences) - standard atom colors from jmol * drag & drop files on MacOSX * take into account excluded regions when searching for peaks. * faster initial optimization (and randomization) of Molecules * Unicode interface (should be more friendly to directories with accents, symbols..) * localized number display (using , rather than . for decimal separation) BUG FIXES * Avoid crashes during profile fitting and indexing * internal fixes (Pavol Juhas) — Vincent Favre-Nicolin Co-editor, J. Synchrotron Radiation http://journals.iucr.org/s/ <http://journals.iucr.org/s/> Director, HERCULES school http://hercules-school.eu <http://hercules-school.eu/> ESRF-The European Synchrotron http://www.esrf.eu <http://www.esrf.eu/> 71, Avenue des Martyrs Grenoble, France X-Ray NanoProbe (XNP) group Tel: +33 4 76 88 28 11 On leave from Univ. Grenoble Alpes |