Add a small molecule
Go to the EBI MSD ChemComp page and search with the CCPN code of the molecule you want to load (e.g. Ola for oleic acid). On the results page click download which will display a page with ChemComp and ChemCompCoord link. Alternatively, use the github ChemComp repository that has replaced the one previously hosted at CCPForge.
Save the files from the ChemComp and one of the ChemCompCoord links. You have to save the files with *exactly* the XML file name that it offers you.
Put these files in the ccp/molecule/ChemComp/ directory of your project and the data/ccp/molecule/ChemComp and data/ccp/molecule/ChemCompCoord/ directories of your CCPN installation. Unlike ChemComps, ChemCompCoords won't work yet if you put the file locally in your project in ccp/molecule/ChemCompCoord/ - this will probably be changed soon. Having a copy of the ChemComp in your project should keep it portable so that it keeps working on a machine where it hasn't been included in the installation directory. e.g.
cp other+Ola+msd_ccpnRef_2007-12-11-10-18-16_00004.xml <path to project>/ccp/molecule/ChemComp/. cp other+Ola+msd_ccpnRef_2007-12-11-10-18-16_00004.xml /usr/local/ccpnmr/ccpnmr2.4/data/ccp/molecule/ChemComp/. cp ideal+other+Ola+msd_ccpnRef_2008-08-04-14-30-41-739_00001.xml /usr/local/ccpnmr/ccpnmr2.4/data/ccp/molecule/ChemCompCoord/.
for analysis with a version lower than 2.2.2 updated on or since 11/10/2012: to be able to import PDB files into analysis you need to make the following modification to ccpnmr/analysis/core/StructureBasic.py at the end of the getBestChemComp() definition
if not chemComp and molType != 'other': resName = resName[0] + resName[1:].lower() chemComp = getChemComp(project, 'other', resName)
Follow the Create and import a residue template Howto