Thanks a lot JP, I did see the site and I tried to simplify the code, to get anything working. However I think sticking with the original may be best. I didn't however see the compilation instructions, which has helped a lot, some of it is coming back to me. Following these instructions I get the following error -L/Users/nfirth/Code/RDKit/RDKit_2011_09_1/lib: No such file or directory Which isn't right, because it's definitely there. Best, Nick
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