ADL: 2d to 3d conversion of structures

Douglas Houston dhouston at
Wed Apr 8 01:35:58 PDT 2009

smi23d is usable from the command line:

You can use OpenBabel to convert your 2D format to smiles format, then  
smi23d to get 3D coordinates,



Quoting raghu bhagavat <rag_vocal at>:

> Hi all..........
> I wanna know softwares for conversion of 2d to 3d co-ord   
> structures...........
> I have a database of 1500 ligands and it s in 2d format........
> I came across Corina, Concord softwares..........but for command   
> line (scriptable) operations it is not suitable..........Suggest me   
> a good server/software wherein i can submit all my structures at   
> once to get the 3d co-ords of the same
> Thanks in advance
>       Add more friends to your messenger and enjoy! Go to   
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Dr. Douglas R. Houston
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