[This followup was posted to bionet.software.x-plor and a copy was sent to the cited author.]
Hi,
I've recently installed cns-1.1 on a Red Hat Linux 7.3 machine, and I
have
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:
17c17
< checkversion 1.0
---
> checkversion 1.1
Thanks,
Cristian
