Hello,
My guess is that it is getting confused with existing copies of Acy and
Nh3 that were presumably downloaded before Tim added these updates. So
what Tim added should be in:
ccpnmr2.1/data/ccp/molecule/ChemComp/other+Nh3+ChemBuild_tjs23_2011-03-14-23-20-04-832_00001.xml
and
ccpnmr2.1/data/ccp/molecule/ChemComp/other+Acy+ChemBuild_tjs23_2011-03-14-23-20-23-515_00001.xml
I'm not sure whether the ones that existed before these were added would
be in ccpnmr2.1/data/ccp/molecule/ChemComp/ as well or in the project
directory in PROJECT_DIR/ccp/molecule/ChemComp/. Look for files in both
these directories with Acy and Nh3 in the names but which are not the same
as the ones above. Those files should be deleted (well, or probably
better moved somewhere else safe in case we have another problem arise).
Wayne
On Tue, 15 Mar 2011, Nathalie evrard wrote:
> Hello,
> Thanks a lot for the two new capping residue templates Acy and Nh3.
> I updated the ccpnmr Analysis 2.1.5, but there is always a problem.
>
> I can't open an already existing project. The error message is:
>
>>>> Error loading file for: <ccp.molecule.ChemComp.NonStdChemComp ['other', 'Acy']>
> Reading: <open file '/home/nat/logiciels/ccpnmr/ccpnmr2.1/data/ccp/molecule/ChemComp/other+Acy+ChemBuild_tjs23_2011-03-14-23-20-23-515_00001.xml', mode 'r' at 0xb3dcb860>
> Last xml tag read: CHEM.ChemComp.chemAtomSets
> Parser state was: postprocessing data
> Object stack was empty
> Error loading file for: <ccp.molecule.MolSystem.MolSystem ['MS1']>
> Reading: <open file '/home/nat/axelle/Nrf2_280_test/ccp/molecule/MolSystem/MS1+Nrf2_280_calib_nat_2011-03-04-16-43-34-820_00001.xml', mode 'r' at 0xb3dcb7b0>
> Last xml tag read: _StorageUnit
> Parser state was: checking validity
> Object stack was empty
> Error loading file for: <ccp.nmr.Nmr.NmrProject ['Nrf2_280_calib']>
> Reading: <open file '/home/nat/axelle/Nrf2_280_test/ccp/nmr/Nmr/Nrf2_280_calib+Nrf2_280_calib_nat_2011-02-24-17-06-45-852_00001.xml', mode 'r' at 0xae1506a8>
> Last xml tag read: NMR.AtomSet.atoms
> Parser state was: reading
> Current object was: <ccp.nmr.Nmr.AtomSet ['Nrf2_280_calib', 1]>
>
>
> Loading Project
> Cannot add child – key already in use:
> ccp.molecule.ChemComp.NonStdChemComp.Implementation.MemopsRootid:3036838572>:('other','Acy')
>
>
> And when I try to make a new project, I can't build a new molecule
> The error message is:
>
>>>> Error loading file for: <ccp.molecule.ChemComp.NonStdChemComp ['other', 'Acy']>
> Reading: <open file '/home/nat/logiciels/ccpnmr/ccpnmr2.1/data/ccp/molecule/ChemComp/other+Acy+ChemBuild_tjs23_2011-03-14-23-20-23-515_00001.xml', mode 'r' at 0xb4707c28>
> Last xml tag read: CHEM.ChemComp.chemAtomSets
> Parser state was: postprocessing data
> Object stack was empty
>
> ApiError: Cannot add child - key already in use: ccp.molecule.ChemComp.NonStdChemComp:<memops.Implementation.MemopsRoot id:2999127404>:('other', 'Acy')
> NonStdChemComp [
>
> Thanks in advance,
>
> Nathalie Evrard
>
> ***********************************************
> Nathalie Evrard-Todeschi
>
> Equipe de RMN et Modélisation Moléculaire
>
> Université Paris Descartes
> Laboratoire de Chimie et Biochimie Pharmacologiques
> et Toxicologiques. UMR 8601 CNRS.
> 45, rue des Saints-Pères,
> 75006 Paris
> ***********************************************
>
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