Dear All,
I started an ARIA run using CCPN top.activateAriaSetup(). It run through the first 8 iterations and than it failed at the refinement (DMSO) with the following error:
MESSAGE [CNS]: Output of solvent-refinement protocols copied.
MESSAGE [CNS]: Solvent refinement done.
Error: No models found in file - cannot continue.
Traceback (most recent call last):
File "/usr/local/aria2.3/aria2.py", line 903, in <module>
verbose_level, use_condor=condor)
File "/usr/local/aria2.3/aria2.py", line 813, in run_aria
project.go(use_condor)
File "/usr/local/aria2.3/src/py/aria/Project.py", line 1574, in go
self.run_protocol(first_iteration)
File "/usr/local/aria2.3/src/py/aria/Project.py", line 1580, in run_protocol
last_iteration = self.getProtocol().go(iteration, self.getMolecule())
File "/usr/local/aria2.3/src/py/aria/Protocol.py", line 1796, in go
self.export_water_refined_structures(iteration)
File "/usr/local/aria2.3/src/py/aria/Protocol.py", line 1575, in export_water_refined_structures
self._dump_ccpn(iteration, path, is_water_refinement=True)
File "/usr/local/aria2.3/src/py/aria/Protocol.py", line 1026, in _dump_ccpn
structures = ccpnExport.getStructuresFromAria2Dir(path, chains)
File "/usr/local/aria2.3/src/py/aria/exportToCcpn.py", line 356, in getStructuresFromAria2Dir_Format
cnsFormat.readCoordinates(fileNames, molSystem=molSystem, structureEnsemble=ensemble, **kw)
File "/home/kati/bin/ccpnmr/ccpnmr2.1/python/ccpnmr/format/converters/DataFormat.py", line 1323, in readCoordinates
self.autoSelectCoordNamingSystem()
File "/home/kati/bin/ccpnmr/ccpnmr2.1/python/ccpnmr/format/converters/DataFormat.py", line 12776, in autoSelectCoordNamingSystem
raise self.FormatConverterError("No models available for determining naming system for coordinates.")
ccpnmr.format.converters.DataFormat.FormatConverterError: 'No models available for determining naming system for coordinates.'
kati@nmr3:~/CARA/Mario_peptide/CCPN/Mario_peptide1_5$
Any ideas what is wrong with it?
Thanks a lot,
Katalin Kover
|