Hello,
That is (probably) just a PYTHONPATH issue. Now I forget exactly how ARIA
sets that, but you could try in the shell where you start up ARIA (if you
use tcsh/csh):
setenv PYTHONPATH /PATH_TO_CCPNMR/ccpnmr2.1/python
where PATH_TO_CCPNMR is wherever your ccpnmr/ directory is. It's possible
this might trample the PYTHONPATH that ARIA has set up otherwise, or it's
possible ARIA will trample this PYTHONPATH, so it might not work.
Wayne
On Tue, 21 Jun 2011, Krisztina Feher wrote:
> Dear All,
>
> I am trying to use Analysis to set ARIA calculation. The Setup ARIA window sends the job to the CCPNGRID, but I do not have access to it and would prefer to keep the calculation offline with locally installed ARIA2.3. I could save an ARIA project.xml, which contained CCPN molecule system, peaks and restraints I defined. However when I started a calculation from this project file using my local ARIA2.3 I got the following message:
>
> Traceback (most recent call last):
> File "/home/kriszti/bin/aria2.3/aria2.py", line 903, in <module>
> verbose_level, use_condor=condor)
> File "/home/kriszti/bin/aria2.3/aria2.py", line 811, in run_aria
> project.load_and_preprocess_data()
> File "/home/kriszti/bin/aria2.3/src/py/aria/Project.py", line 1426, in load_and_preprocess_data
> self.read_data()
> File "/home/kriszti/bin/aria2.3/src/py/aria/Project.py", line 1186, in read_data
> self.read_ccpn_data()
> File "/home/kriszti/bin/aria2.3/src/py/aria/Project.py", line 611, in read_ccpn_data
> from memops.general.Io import loadProject
> ImportError: No module named memops.general.Io
>
> It seems to complain about CCPN code, therefore I posted this message here too, but I will post it in the aria discussion list too.
>
> The NMR calculation window looks similar to Setup ARIA, but the Run settings tab I could figure out how to use (is this functional already?).
>
> My question is: Is it possible to use Analysis to setup a local ARIA calculation? If so, how?
>
> Thanks a lot,
> Krisztina
>
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