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cns on linux

Cristian Gradinaru cg78 at cornell.edu
Sun Jul 21 22:29:40 EST 2002

[This followup was posted to bionet.xtallography and a copy was sent to the cited author.]


I've recently installed cns-1.1 on a Red Hat Linux 7.3 machine, and I 
problems running some of the scripts. For example, I'm trying to run a
make_cv.new.inp script (which did work fine on an SGI) and I get
the following error message:

 Error: symmetry operators do not form a group. Check #   1 *  #   1
 %XMDOAS3 error encountered: Error involving symmetry operators.
   (CNS is in mode: SET ABORT=NORMal END)
 ABORT mode will terminate program execution.
 Program will stop immediately.

Some of the scripts seem to run flawlessly though (e.g. a generate.inp
script that I tried does not pose any problems).

Could you tell me what exactly does this error message mean? I tried
comparing the spacegroup.lib file between the linux installation and the
unix one, and the only difference is a line pertaining to the version of
cns used - that's normal, I assume:

< checkversion 1.0
> checkversion 1.1


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