Dear Monica,
I think you are almost there.
To run SHELXC, an example command is:
shelxc mymad < my_shelxc.input | tee shelxc.log
The command and names are as explained by Tim Gruene at <http://shelx.uni-ac.gwdg.de/~tg/teaching/anl-ccp4/pdfs/chicago_2012_tgruene_shelxcde.pdf>.
Other tutorials are available e.g. at the SHELX home page at <http://shelx.uni-ac.gwdg.de/SHELX/tutorials.php>, or at Andrea Thorn's page at <http://shelx.uni-ac.gwdg.de/~athorn/>.
For the gui HKL2MAP, a general source of reference is Thomas Schneider's web site at <http://webapps.embl-hamburg.de/hkl2map/>.
I could be wrong but it seems that HKL2MAP is not able to find SHELXC because perhaps it is not located in a directory where it expects to find it. Adding a location to your path is explained by Tom at <http://webapps.embl-hamburg.de/hkl2map/hkl2map-0.3.a-user.pdf> (page 6).
Alternatively, you could also move or copy SHELXC/D/E to a location that is part of the path that is checked by programs in locating other commands. For more information on the Linux environment variable PATH, see e.g. at <http://www.linfo.org/path_env_var.html>.
Hope this helps. If not, please just write back.
Best regards,
Navdeep
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On Tue, Apr 15, 2014 at 03:25:38PM +0530, Monica Mittal wrote:
> Hi all
> I installed shelxc/d/e on linux by unpacking and then making executable by
> chmod +x. I got the executables for all files. Now when i run as ./shelxc i
> get the infromation about the program. I guess i need to define the input
> file also along with shelxc. But instead of that i want to use GUI for
> that. How can i do that. Additionally i have installed hkl2map also and
> while i run it it asks for shelxc executable so how can i sort it out.
>
> Many thanx in advance
> Monica
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Navdeep Sidhu
Departments of Structural Chemistry
& Neuropediatrics
University of Goettingen
Office: Institute of Inorganic Chemistry
Tammannstrasse 4
37077 Goettingen
Germany
Email: [log in to unmask]
Phone: +49 551 39 33059
Homepage: http://shelx.uni-ac.gwdg.de/~nsidhu
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