>Not sure if this is common knowledge but the GUI ORTEP
>program for MS-Windows is rather friendly to a number of
>external programs including GSAS exp files.
>
>This is very friendly software to use and is available at:
> http://www.chem.gla.ac.uk/~louis/ortep3/
ORTEP-3 for Windows has really what I would call a true GUI :
you can play with your structure drawing on the screen. For
instance, superfluous atoms may be deleted by 5 mouse
clicks (or 2 mouse clicks + pressing "F3"):
one click on the "contents" button
one click on the "excute option" button
one click on the "selected atoms" button
(the 3 clicks above can be replaced by pressing "F3")
(we are still in the BUI)
one click on the atom to delete in the structure drawing part
(here is the true GUI),
one click on an "OK" button... The whole takes a few seconds.
For those who have used the old ORTEP version with a command
line and file-editing, there is really a gap... Eliminating one atom
needed that you identified it with its Ortep-like coordinates, an
operation which could take several minutes and errors.
Thanks to Louis J. Farrugia !
Armel
PS Maybe you see what I mean by BUI (Button User Interface
and true GUI (Graphical User Interface). Ortep-3 for windows has
both of them. The true GUI part allows you to influence directly
the graphism. Without this direct interface with the structure plot,
Ortep-3 for windows would have been a "structure showing" program
with a BUI.
Armel Le Bail - Universite du Maine - Laboratoire des Fluorures
CNRS ESA 6010 - Avenue O. Messiaen - 72085 Le Mans cedex 9 - France
http://fluo.univ-lemans.fr:8001/
http://www.cybercable.tm.fr/~cristal/welcome.html