Hi, It's much better to e-mail the openbabel-discuss mailing list, since there are many people who can potentially answer your question. But I'm not sure what your question is. It sounds like you want to know for each compound how many of these SMARTS (fingerprints) match? Is that correct?
Best regards, -Geoff On Oct 22, 2012, at 12:18 PM, Deepak Singla <deep_ku...@imtech.res.in> wrote: > Dear Sir, > Myself Deepak Singla working as Senior Research Fellow, IMTECH > (Chandigarh). I am using your software babel from a long time. Now, i > am facing some trouble in SMART pattern matching. I have a file > containing the smart pattern and a second file containing smile file of > compound as input. I need the output file in the form of compounds-id > with smart pattern count. I have found a website that do like that but i > am not sure whether they are using babel or not. For the sake of > convenience, i am sending the file as > > 1. test5.smi containing compounds in smile with id > 2 smart.txt containing smart pattern > 3. result file > > > Hopefully waiting for your positive response. > > > Deepak Singla > Bioinformatics Centre > IMTECH > Sec-39-A > Chandigarh-160036 > web-site: http://deepakatbioinfo.weebly.com/ > ______________________________________________________________________ > सूक्ष्मजीव प्रौद्योगिकी संस्थान (वैज्ञानिक औद्योगिक अनुसंधान परिषद) > Institute of Microbial Technology (A CONSTITUENT ESTABLISHMENT OF CSIR) > सैक्टर 39 ए, चण्डीगढ़ / Sector 39-A, Chandigarh > पिन कोड/PIN CODE :160036 > दूरभाष/EPABX :0172 6665 201-202 > <test5.smi><smart.txt><result-alert.txt> ------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_sfd2d_oct _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
