Hi all,
Here are some new features to be tested in Fox: I have just added
preferrred orientation (using the March-Dollase model). It shows a new
menu at the bottom of each crystalline phase of Powder pattern objects
(I'd advise using only one preferred orientation, that should be
sufficient for structure solution purposes).
You can obtain this either by using the CVS for those who can compile
Fox themselves. Otherwise I have added a test version at :
ftp://ftp.unige.ch/pub/soft/crystal/fox/test/
You will need to unzip the Fox application and put it in place of the
one that you already have (to have the glut.dll file in the same dir).
You may also want to take the ktartrate-textured xml file which is in
the same directory. It includes data with a very strong preferred
orientation (99%, March parameter>10), which makes it a good example
but hard to find (Fox succeeds in about 30% of runs in less than 4
hours on my 1.4 GHz).
To be done : test this version of Fox (especially preferred
orientation, *most* especially under windows...), and check that the
texture parameters obtained are OK...
I've fixed some bugs, too (like the one which prevented adding atoms
in a ZScatterer by hand and not through a zmatrix).
Hopefully after this I will do some improvements on the modelization
of molecular compounds, and for their input into Fox which is not very
user-friendly at the moment.
Note that at the end of next week I'll be at the ACA in San Antonio.
I will by presenting Fox in the powder workshop on the 25th, at 1:30
PM. See http://www.chem.tamu.edu/xray/acaworkshop/
Cheers,
--
Vincent Favre-Nicolin
ESRF- Grenoble, France
http://v.favrenicolin.free.fr
ObjCryst & Fox : http://objcryst.sourceforge.net
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