I a trying to generate a 3D structure in directly from a smiles input as indicated in the manual. So for example, to generate the 3D structure of succinic acid, I am doing the following:
echo "C(O)OCCC(O)O" > succinic.smi obabel -ismi succinic.smi -omol2 -O succinic.mol2 -h --gen3D however obable hungs and doest not output the expected three dimensional structure, would someone please help me to debug this issue? thanks in advance for the help, regards Alfredo -- Sent from: http://forums.openbabel.org/General-discussion-f3090658.html _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
