[Bug 482757] New: Review Request: objcryst-fox - Viewing and solving crystal structures from powder diffraction data

[bugzilla at redhat.com]

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 at fedoraproject.org
        ReportedBy: pascal22p at parois.net
         QAContact: extras-qa at fedoraproject.org
                CC: notting at redhat.com, fedora-package-review at redhat.com
   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.