Hello all,
I wanted to start an ARIA(ARIA2.3) run. The reading of data and
constraints list from ccpn(ccpnmr2.2) data model was fine. But then I
got a message that during creation of the PSF-file an error occurered.
How to overcome this problem?
Thanks
Christoph
MESSAGE [CNS]: Sequence PDB-file written.
MESSAGE [CNS]: CNS output file has been copied to "/home/oswald/cwiede/
aria_runs/SsoE605/run2/cns/begin/generate.out".
Traceback (most recent call last):
File "/opt/aria2.3/aria2.py", line 903, in <module>
verbose_level, use_condor=condor)
File "/opt/aria2.3/aria2.py", line 813, in run_aria
project.go(use_condor)
File "/opt/aria2.3/src/py/aria/Project.py", line 1573, in go
first_iteration = self.finalize()
File "/opt/aria2.3/src/py/aria/Project.py", line 1558, in finalize
protocol.finalize_engine(self.getMolecule())
File "/opt/aria2.3/src/py/aria/Protocol.py", line 1525, in
finalize_engine
engine.prepare(self.getSettings(), molecule)
File "/opt/aria2.3/src/py/aria/cns.py", line 1952, in prepare
self.create_psf_file(protocol_settings, replace)
File "/opt/aria2.3/src/py/aria/cns.py", line 1839, in create_psf_file
self.error(IOError, s % psf_file)
File "/opt/aria2.3/src/py/aria/ariabase.py", line 211, in error
raise exception, msg
IOError: USER ERROR <aria.cns.CNS> File
"/opt/aria2.3/src/py/aria/cns.py", line 1952 in prepare
An error occurered during creation of the PSF-file:
"/home/oswald/cwiede/aria_runs/SsoE605/run2/cns/begin/SsoE605_test.psf"
could not be found.
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