Dear Noel
Thanks a lot for your valuable hint and it works, I created a loop and
wrote the conformers as individual SDF file (code below), then I combine
all the individual SDF files into one using Openbabel GUI (not an ideal way
to do),
conformer.Setup(mol,5);
conformer.GetConformers(mol);
for
Have you tried SetConformer(int n)? This switches the coordinates of the
molecule between the available conformers.
On 20 December 2017 at 12:35, Vinothkumar Mohanakrishnan wrote:
> Dear OpenBabelers
>
> I am using OpenBabel in my Java application.I would like to generate set
> of conformers for
Dear OpenBabelers
I am using OpenBabel in my Java application.I would like to generate set of
conformers for my molecule using Openbabel and write the generated
conformers to an output file (SDF format).
I am able to generate the conformers using GetConformers method in
OBConformerSearch class, S
