Hi Brian,
Most of the ChemComps have coordinates (as they mainly originate from the PDB); these coordinates are not stored in the ChemComp XML file but in a ChemCompCoord XML file.
Each of these ChemCompCoord files has an extra identifier on top of molType/ccpCode, as the coordinates themselves can originate from different sources (the most common are ideal and pdb).
To access the coordinates in Analysis, you have to do the following:
1. Go to this page (with your favourite ccpCode and molType):
http://www.ebi.ac.uk/pdbe-apps/nmr/referenceData/chemCompDownload.html?ccpCode=Sin&molType=other
2. Click on one of the ChemCompCoord links - you have to save the file with *exactly* the XML file name that it offers you.
3. Put this file in the data/ccp/molecule/ChemCompCoord/ directory of your CCPN installation. Unlike ChemComps, it won't work yet if you put the file locally in your project in ccp/molecule/ChemCompCoord/ - this will probably be changed soon.
Hope that helps,
Wim
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