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On 06/21/2011 11:45 AM, Wayne Boucher wrote: > 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. I think this should be fine as aria starts itself via the following alias python -O $ARIA2/aria2.py and then modifies the PYTHONPATH internally as follows aria_root = os.path.join(get_aria_root(), 'src/py') sys.path.insert(0, aria_root) so waynes solution should work ;-) regards garyt > 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 >> -- ------------------------------------------------------------------- Dr Gary Thompson [Homans Lab Research Coordinator] Astbury Centre for Structural Molecular Biology, University of Leeds, Leeds, LS2 9JT, West-Yorkshire, UK Tel. +44-113-3433024 email: [log in to unmask] Fax +44-113-3431935 -------------------------------------------------------------------