Why are the MACCS fingerprints no longer available within OpenBabel2.3.2?
I get an error if I attempt to convert to the *.fpt format and specify
-xfMACCS as the fingerprint. I can not even see MACCS as an option in the
GUI, either. The only options I see now are FP2, FP3, FP4. I am running
OpenBabel under Windows XP. My command line was: obabel -isdf input.sdf
-O output.fpt -d -b -e -xh -r -xfMACCS
Kirk Simmons
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