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 --- 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 --- Navdeep Sidhu Departments of Structural Chemistry & Neuropediatrics University of Goettingen Office: Institute of Inorganic Chemistry Tammannstrasse 4 37077 Goettingen Germany Email: [email protected] Phone: +49 551 39 33059 Homepage: http://shelx.uni-ac.gwdg.de/~nsidhu ---
