I am attempting to convert an input file of structures to the corresponding
MACCS fingerprints.
OBabel -isdf MyStructures.sdf -O MyStructures.fpt -xh -xMACCS does not
work in that the fingerprint generation is ignoring the request for MACCS.
What am I doing wrong?
Within the GUI I can get this work, but for large sdfiles I want to use the
command line.
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