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.
-----------------------------------------------------------------
Research Scientist,
Center for Systems Biology,
University of Iceland.
http://systemsbiology.hi.is/
-----------------------------------------------------------------

------------------------------------------------------------------------------
Come build with us! The BlackBerry® Developer Conference in SF, CA
is the only developer event you need to attend this year. Jumpstart your
developing skills, take BlackBerry mobile applications to market and stay
ahead of the curve. Join us from November 9-12, 2009. Register now!
http://p.sf.net/sfu/devconf
_______________________________________________
OpenBabel-discuss mailing list
[hidden email]
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss

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

------------------------------------------------------------------------------
Come build with us! The BlackBerry&reg; Developer Conference in SF, CA
is the only developer event you need to attend this year. Jumpstart your
developing skills, take BlackBerry mobile applications to market and stay
ahead of the curve. Join us from November 9&#45;12, 2009. Register now&#33;
http://p.sf.net/sfu/devconf
_______________________________________________
OpenBabel-discuss mailing list
[hidden email]
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss

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
12 audit log messages


On Fri, 2009-09-18 at 14:27 +0000, Ronan Fleming wrote:

------------------------------------------------------------------------------
Come build with us! The BlackBerry&reg; Developer Conference in SF, CA
is the only developer event you need to attend this year. Jumpstart your
developing skills, take BlackBerry mobile applications to market and stay
ahead of the curve. Join us from November 9&#45;12, 2009. Register now&#33;
http://p.sf.net/sfu/devconf
_______________________________________________
OpenBabel-discuss mailing list
[hidden email]
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss

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.
gmail login
hotmail login

Your blog is really interesting and inspirational to many. I'll be looking forward for more of your posts website