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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