[Objcryst-foxx] Fox version 2016.1
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vincefn
From: Vincent Favre-N. <fa...@es...> - 2016-11-06 20:57:35
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Dear all, A new (pre-release) version of Fox is available from: https://github.com/vincefn/objcryst/releases/tag/v2016.1 (see bottom of page for binaries for MacOS, Windows and Linux) This new version focus should be faster and more stable, but I would appreciate if you send me some feedback in case you find an issue (with steps to reproduce). Full Changelog: #### 2016.1 (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) Best wishes, Vincent — 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 |