On 8/6/2019 8:16 PM, Geoffrey Hutchison wrote:
If there's stereochemistry in any of your 2D molecules, you're not
guaranteed to get the right 3D conformer from the conversion.
What? Why do you say that?
Because that's how it works. If I have a 2D alanine SDF and I "convert"
to 3D, I may get
> maybe you remember - some time ago I asked you about details of similar
> program - BABEL (I attached the correspondence below). Now, because the
> compilation of static OPENBABEL build for Android was successful, I would
> like to ask you, if I could upload the recent OPENBABEL binaries / ins
> Because that's how it works. If I have a 2D alanine SDF and I "convert" to
> 3D, I may get D-Alanine or I may get L-Alanine. If I'm working with
> biomolecules, D-Alanine is not the one I want.
That would only happen if your 2D structure doesn't have any stereochemical
(wedge/hash) informatio
On 8/7/19 1:41 PM, Geoffrey Hutchison wrote:
...
> That would only happen if your 2D structure doesn't have any stereochemical
> (wedge/hash) information. That wasn't the user's question.
That's why my first question was "what's your input format". Of course
it has nothing to do with conversion f
