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Hi Lalit, It did come up, but I probably forgot to post the solution to the mailing list. Anyway, you have to use attached script: 1. Set the molType and ccpCode of the chemComp you're modifying at the top of the script. 2. Set the namingSystemName variable at the top of the script: if you're exporting for CYANA, leave as is, otherwise set to 'XEASY'. 3. Fill in the serial numbers for the atoms for the chemComp (serialInfo), and any atom names that are different from the CCPN ones (sysNameDict) - these will be used for the output. 4. Run the script. 5. In the test/ directory that's created, copy the .xml file in ccp/ molecule/ChemComp/ over the one in your project, or the one from the release (make a backup first, just in case!). Note that this has to be user-defined because there is no XEASY/CYANA standard for these chemComps - you have to make sure the serials and atom names match up with the definitions in the CYANA libraries (if that's what you're using it for). Bye, Wim