I don't have the exact code to hand, but it's something like the
following in Python:
myop = OBOp.FindType("gen3d")
success = myop.Do(myOBMol)
- Noel
On 7 November 2013 18:13, Wallace Chan <walla...@umich.edu> wrote:
> 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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from the latest Intel processors and coprocessors. See abstracts and register
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