Dear all,
Apologies if this problem has come up before. I am new to both NMR and CCPNmr. I am trying to use the metabolomics package but when I tried to open the project as it is said in the tutorial, I get the following error:
"Cannot add child-Key already in use: ccp.molecule.ChemComp.NonSTDChemComp:<memops.Implementation.MemopsRoot id:4466173904>:('other','Acy')
I have seen that a similar problem was solved in the past by using the python script: "deleteRedundantConstraintItems" but I could not fix it. I get this information from running it:
" Traceback (most recent call last):
File "<stdin>", line 1, in <module>
File "/Applications/ccpnmr/CCPN_Metabolomic_v1.3/deleteRedundantConstraintItems.py", line 4, in deleteRedundantConstraintItems
AttributeError: 'str' object has no attribute 'nmrConstraintStores'
Error loading file for: <ccp.molecule.ChemComp.NonStdChemComp ['other', 'Acy']>
Reading: <open file '/Applications/ccpnmr/ccpnmr2.3/data/ccp/molecule/ChemComp/other+Acy+ChemBuild_tjs23_2011-03-14-23-20-23-515_00001.xml', mode 'r' at 0x1097560c0>
Last xml tag read: CHEM.ChemComp.chemAtomSets
Parser state was: handling version compatibility
Object stack was empty
Error during Exo link dereferencing. Object was: <ccp.molecule.Molecule.MolResidue ['arginine', 1]>
values were: ['msd_ccpnRef_2007-12-11-10-20-10_00007']
tag name was: chemComp
Error loading file for: <ccp.molecule.Molecule.Molecule ['arginine']>
Reading: <open file '/Applications/ccpnmr/CCPN_Metabolomic_v1.3/CCPN_Metabolomic_v1_3/ccp/molecule/Molecule/arginine+metabo2_fchignola_2009-07-24-11-50-53-251_00001.xml', mode 'r' at 0x109756030>
Last xml tag read: _StorageUnit
Parser state was: postprocessing data
Object stack was empty
Error loading file for: <ccp.molecule.MolSystem.MolSystem ['arginine']>
Reading: <open file '/Applications/ccpnmr/CCPN_Metabolomic_v1.3/CCPN_Metabolomic_v1_3/ccp/molecule/MolSystem/arginine+metabo2_fchignola_2009-07-24-11-50-27-221_00001.xml', mode 'r' at 0x1096b6f60>
Last xml tag read: _StorageUnit
Parser state was: checking validity
Object stack was empty
Error loading file for: <ccp.nmr.Nmr.NmrProject ['metabo2']>
Reading: <open file '/Applications/ccpnmr/CCPN_Metabolomic_v1.3/CCPN_Metabolomic_v1_3/ccp/nmr/Nmr/metabo2+metabo2_fchignola_2009-07-24-11-49-23-331_00002.xml', mode 'r' at 0x108429ed0>
Last xml tag read: NMR.AtomSet.atoms
Parser state was: reading
Current object was: <ccp.nmr.Nmr.AtomSet ['metabo2', 1]>
Error loading file for: <ccp.molecule.ChemComp.NonStdChemComp ['other', 'Acy']>
Reading: <open file '/Applications/ccpnmr/ccpnmr2.3/data/ccp/molecule/ChemComp/other+Acy+ChemBuild_tjs23_2011-03-14-23-20-23-515_00001.xml', mode 'r' at 0x1097560c0>"
Last xml tag read: CHEM.ChemComp.chemAtomSets
Parser state was: handling version compatibility
Object stack was empty
Error during Exo link dereferencing. Object was: <ccp.molecule.Molecule.MolResidue ['arginine', 1]>
values were: ['msd_ccpnRef_2007-12-11-10-20-10_00007']
tag name was: chemComp
Error loading file for: <ccp.molecule.Molecule.Molecule ['arginine']>
Reading: <open file '/Applications/ccpnmr/CCPN_Metabolomic_v1.3/CCPN_Metabolomic_v1_3/ccp/molecule/Molecule/arginine+metabo2_fchignola_2009-07-24-11-50-53-251_00001.xml', mode 'r' at 0x109756030>
Last xml tag read: _StorageUnit
Parser state was: postprocessing data
Object stack was empty
Error loading file for: <ccp.molecule.MolSystem.MolSystem ['arginine']>
Reading: <open file '/Applications/ccpnmr/CCPN_Metabolomic_v1.3/CCPN_Metabolomic_v1_3/ccp/molecule/MolSystem/arginine+metabo2_fchignola_2009-07-24-11-50-27-221_00001.xml', mode 'r' at 0x1096b6f60>
Last xml tag read: _StorageUnit
Parser state was: checking validity
Object stack was empty
Error loading file for: <ccp.nmr.Nmr.NmrProject ['metabo2']>
Reading: <open file '/Applications/ccpnmr/CCPN_Metabolomic_v1.3/CCPN_Metabolomic_v1_3/ccp/nmr/Nmr/metabo2+metabo2_fchignola_2009-07-24-11-49-23-331_00002.xml', mode 'r' at 0x108429ed0>
Last xml tag read: NMR.AtomSet.atoms
Parser state was: reading
Current object was: <ccp.nmr.Nmr.AtomSet ['metabo2', 1]>
I will be very grateful if you could help me to solve this problem.
Many thanks for your time,
Eva Caamano
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