There is some support in the *builder3d *modules but there are better
options out there. One day I'll find some time to update that code but
depending on how many structure you need to convert the NCI resolver uses
Corina (via CACTVS) IIRC.
https://cactus.nci.nih.gov/chemical/structure/{smiles}/sdf
John
On 20 May 2018 at 06:08, Xuan Cao <danis.cao.x...@gmail.com> wrote:
> Hi everyone!
>
> I am just wondering does CDK have the feature that convert SMILES string
> to 3D SDF file, or convert 2D SDF file to 3D SDF file?
>
> I see that there are some stand-alone programs that do the convert (2D to
> 3D), but I prefer using CDK if it has the feature.
>
> Thank you so much!
>
> Xuan
>
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