> > obabel -i smi test.smi -o mol --gen3d -m > but it put them all in one .mol , is there a way to split them in as many > smiles as there are molecules? >
I’m not sure what you want it to do. Because you didn’t specify a filename / pattern to use for output, it has to output in the standard output stream. Try, for example: % obabel test.smi -O output.mol --gen3d -m % ls *.mol # lists a bunch of output1.mol, output2.mol, etc. Hope that helps, -Geoff --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: geo...@pitt.edu twitter: @ghutchis web: https://hutchisonlab.org/
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