Hi John,
Thank you for your reply! I will look into that!
BTW, the link is not working (404).
Xuan
On 20 May 2018 at 02:16, John Mayfield <john.wilkinson...@gmail.com> wrote:
> 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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