Dear All,

I am having some frustration trying to generate a 3D SDF file from an InChI
ID. I am able to get it from InChI to SDF without the coordinate
information. I am aware that I have to use the 'gen3d' option but am
unaware of how to do so. Looking around the internet, I see others using
OPOb, but I can't seem to call that class. I have Chemistry::OpenBabel
installed, latest version. Any help would be greatly appreciated.

-- 
Wallace Chan
Zhang Lab
Department of Biological Chemistry
University of Michigan
walla...@umich.edu
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