On 25.07.2012 16:11, Christoph Wiedemann wrote:
> 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.
Hi Christoph
check the log file
/home/oswald/cwiede/aria_runs/SsoE605/run2/cns/begin/generate.out
Most probably you will find the reason in there.
Justin
--
Justin Lecher
Institute of Complex Systems
ICS-6 Structural Biochemistry
Research Centre Juelich
52425 Juelich, Germany
phone: +49 2461 61 2117
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