I face the same issue.
Em qua, 2 de dez de 2020 08:18, Antonio Jesús Banegas Luna <
ajbane...@ucam.edu> escreveu:
> Hello,
>
> I'm using obabel for converting smiles to 3d mol2 with --gen3D. However,
> when I run the command on another machine I get a different set of
> coordinates that make the
Hello,
I'm using obabel for converting smiles to 3d mol2 with --gen3D. However,
when I run the command on another machine I get a different set of
coordinates that make the rest of my script fail.
I'd like to obtain always the same coordinates and I was wondering if
obabel accepts a seed or