Command line conversion of InChI to Mol with babel

Hi,

firstly, well done to all the developers for producing such a useful
set of tools. My question is whether it is possible to use babel to
convert a single InChI to a mol file from the command line, like

babel -iinchi filein.inchi -omol fileout.mol

except having the actual InChI string in the command line, rather than
reading it from filein.inchi ?

Ronan

Open Babel 2.2.3 -- Sep 16 2009 -- 15:58:15

--
Mr. Ronan MT Fleming B.V.M.S. Dip. Math. Ph.D.
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Research Scientist,
Center for Systems Biology,
University of Iceland.
http://systemsbiology.hi.is/
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Hi,

On Fri, Sep 18, 2009 at 4:27 PM, Ronan Fleming
<[hidden email]> wrote:
> Hi,
>
> firstly, well done to all the developers for producing such a useful
> set of tools. My question is whether it is possible to use babel to
> convert a single InChI to a mol file from the command line, like
>
> babel -iinchi filein.inchi -omol fileout.mol

On linux and MacOS:

echo "CCCC" | babel -ismi -omol

Not sure about windows though.

Tim

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echo "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3"|babel -iinchi -  -omol -

 OpenBabel09180910502D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0
  1  3  1  0  0  0
  2  3  1  0  0  0
M  END
1 molecule converted
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On Fri, 2009-09-18 at 14:27 +0000, Ronan Fleming wrote:

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How about converting non standard inchi to molfile?

Thanks for sharing the information. It is very useful for my future. keep sharing
http://bit.ly/31LKX1J

Thanks a lot for the post. It has helped me get some nice ideas. I hope I will see some really good result soon.
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