Re: CCL:3D->2D softwares?

 On Mon June 27 2005 10:56, JunJun Liu wrote:
 > Dear All:
 >
 > Is there a software in linux can convert 3D small organic structures to 2D
 > sketch structures? It will be more preferable if the software has a
 > function of exporting 2D structures to picutures. Thanks in advance!
 If you don't need to do this in a script, and if you need to process only a
 few molecules, try this:
 convert the molecule to SMILES (openbabel does this very well), then launch a
 xdrawchem, choose Tools->Input SMILES and paste the SMILES file you've just
 created, then File->Save Picture
 XDrawChem has an option of opening SMILES files directly, but on my computer
 this does not work.
 Both XDrawChem and opebabel are free (GPL): http://openbabel.sourceforge.net/
 and  http://xdrawchem.sourceforge.net/
 --
 Boris Gorelik
 Mon, 27/Jun/2005, 21 Sivan 5765
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 ! The Hebrew University of Jerusalem !
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