Hi everybody.

I have a problem. I want to convert a number of smiles to binary
fingerprints using babel. Trying "babel mols.smi -ofpt -xhfFP2" will
also output information about sabstructures and similarities which I did
not expect and don't need. Is there a way to just get the converted
molecules?

Thank you,
Francesco.


------------------------------------------------------------------------------
Download Intel® Parallel Studio Eval
Try the new software tools for yourself. Speed compiling, find bugs
proactively, and fine-tune applications for parallel performance.
See why Intel Parallel Studio got high marks during beta.
http://p.sf.net/sfu/intel-sw-dev
_______________________________________________
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss

Reply via email to