google-code-export / nmrrestrntsgrid

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Specific problem with install on nmr #207

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago
What steps will reproduce the problem?
1.On nmr.cmbi.ru.nl the entry fails to get converted coordinates from FC.

Not pursuing any more because of time restraints and this is only one entry.

Original issue reported on code.google.com by jurge...@gmail.com on 21 Apr 2009 at 12:47

GoogleCodeExporter commented 9 years ago
the problem is not present on tang.

Original comment by jurge...@gmail.com on 21 Apr 2009 at 12:48

GoogleCodeExporter commented 9 years ago
Also occurs for entries 1ugt and 1xv6.

Solved by modding a special settings file for that on nmr in:
/Users/jd/workspace34/ccpn/python/msd/adatah/localConstants.py
with:
import os

# Contain dirs: data with dirs: allChemComps, archives, and recoord
localTopDir = "/Users/jd/ccpn_tmp"
dataDir             = os.path.join(localTopDir,'data')
archivesDataDir     = os.path.join(dataDir,'archives')
#archivesCcpnDataDir = os.path.join(dataDir,'archivesCcpn')
pythonCommand       = "python"
numCpu              = 2
#allChemCompDataPath = dataDir
chemCompArchiveDataDir = '/Users/jd/ccpn-chemcomp'
# print "Read msd.adatah.localConstants.py version 4.5.6"

Original comment by jurge...@gmail.com on 21 Apr 2009 at 1:45