Please do not reply directly to this email. All additional comments should be made in the comments box of this bug. Summary: Review Request: objcryst-fox - Viewing and solving crystal structures from powder diffraction data https://bugzilla.redhat.com/show_bug.cgi?id=482757 Summary: Review Request: objcryst-fox - Viewing and solving crystal structures from powder diffraction data Product: Fedora Version: rawhide Platform: All OS/Version: Linux Status: NEW Severity: medium Priority: low Component: Package Review AssignedTo: nobody@xxxxxxxxxxxxxxxxx ReportedBy: pascal22p@xxxxxxxxxx QAContact: extras-qa@xxxxxxxxxxxxxxxxx CC: notting@xxxxxxxxxx, fedora-package-review@xxxxxxxxxx Estimated Hours: 0.0 Classification: Fedora Spec URL: http://svn.debroglie.net/specs/trunk/objcryst-fox.spec SRPM URL: http://fedora.debroglie.net/SRPMS/9/objcryst-fox-1.8.0-1.fc9.src.rpm Description: The FOX program was made for the ab initio crystal structure solution from diffraction data (mostly powder diffraction data). Its most interesting features for ab initio structure determination are: * a versatile description of the crystal contents: either isolated atoms, molecules described using a bond length, bond angles and dihedral angles, and polyhedra for inorganic compounds. You can describe your structure by using any combination of groups of atoms, using a chemist's or crystallographer knowledge about the connectivity in your sample to constrain possible solutions; * an automatic correction for special positions and shared atoms between polyhedra, suitable for global optimization algorithms; * the ability to use simultaneously multiple powder patterns (X-rays, neutrons), as well as single crystal data (e.g. extracted from a powder pattern); * smart global optimization algorithms which can get out of false minima; * a graphical interface with a 3D crystal structure view, with live updates during the optimization process. This program can be used also for educational purposes, to show a 3D display of Crystal structures, and the associated powder pattern(s) (see how adding atoms, changing the lattice, or changing the spacegroup affects the powder spectrum and the 3D structure). webpage : http://vincefn.net/Fox/ rpmlint is quiet. This package needs libnewmat : https://bugzilla.redhat.com/show_bug.cgi?id=479978 I need a sponsor, these are my first 2 packages. Cheers, Pascal -- Configure bugmail: https://bugzilla.redhat.com/userprefs.cgi?tab=email ------- You are receiving this mail because: ------- You are on the CC list for the bug. _______________________________________________ Fedora-package-review mailing list Fedora-package-review@xxxxxxxxxx http://www.redhat.com/mailman/listinfo/fedora-package-review