Plugins are best called directly on a molecule with something like:
gen2d = OBOp.FindType("gen2d") # Looks up the plugin and returns it
gen2d.Do(mymol) # Calls the plugin on your molecule
- Noel
On 6 May 2011 23:22, dave.nunn <[email protected]> wrote:
> Did anyone get a Perl version that works? I've been attempting something
> analogous using:
>
> $OBConversion->SetOutFormat('sdf');
> $OBConversion->AddOption('gen2d',
> $Chemistry::OpenBabel::OBConversion::GENOPTIONS);
> but $OBConversion->WriteString($OBMol) warns about missing coords and gives
> me all 0.0000
>
> --
> View this message in context:
> http://forums.openbabel.org/level-of-MNA-descriptors-tp3472849p3504475.html
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