Sorry, FindType().
On Tue, 7 Jan 2020, 20:38 Markus Grimm via OpenBabel-discuss, <
openbabel-discuss@lists.sourceforge.net> wrote:
> Hi Noel,
>
> thank you very much!
>
> Unfortunately I got an error when I tried the FindPlugin() function.
>
> Code:
>
>
>
>
>
>
>
>
>
>
>
>
>
>
>
> *import pybel#
Hi Noel,
thank you very much!
Unfortunately I got an error when I tried the FindPlugin() function.
Code:
*import pybel# Set up converterconv =
pybel.ob.OBConversion()conv.SetOutFormat("mop")conv.AddOption("k",
conv.OUTOPTIONS, "SYMMETRY PM7 UHF STATIC")conv.Convert()gen3d =
openba
Hi Markus,
In the world of Open Babel, "gen3d" is an 'operation' rather than an input
or output option. These are only triggered when using
OBConversion::Convert, which is not very friendly for Python use (we should
do something about this). Anyway, you just need to trigger the operation
yourself
Hello everyone,
I'm trying to generate some mopac files with some specified key words from
smiles. In obabel in the command line I use the following code for instance:
*obabel -:"C=C(C)CCC" -xk "SYMMETRY PM7 UHF STATIC" -omop -OE1.mop --gen3D*
Now I'm trying to reproduce this in Pybel. SO far I h
