Hi,
But, is not possible put the name for each molecule that appear in the sdf
file?
I can see that this would be useful, but at present the molecule title
cannot be used as the output file name with babel or obabel.
It would probably be possible using a simple Python script.
Sure,
Greetings,
I try to use babel to convert a multifile SDF to several files MOL2,
I use this line:
babel -isdf *.sdf -omol2 *.mol2 -m
But the conversion put other name for the giles MOL2, and the file SDF has the
name for each file MOL2.
How I do to put the name?
My file SDF has a lot of files,
On 12/04/2011 17:58, carlos ortega wrote:
Greetings,
I try to use babel to convert a multifile SDF to several files MOL2,
I use this line:
babel -isdf *.sdf -omol2 *.mol2 -m
But the conversion put other name for the giles MOL2, and the file SDF has the
name for each file MOL2.
How I do
+...
Can you help me?
Thank you!
Carlos Alberto Ortega Zuñiga
From: Chris Morleyc.mor...@gaseq.co.uk
To: openbabel-discuss@lists.sourceforge.net
Sent: Tue, April 12, 2011 2:50:09 PM
Subject: Re: [Open Babel] info about how convert from SDF multifile
From: Chris Morleyc.mor...@gaseq.co.uk
To: carlos ortegacao...@yahoo.es
Sent: Tue, April 12, 2011 3:18:45 PM
Subject: Re: [Open Babel] info about how convert from SDF multifile to mol2
On 12/04/2011 20:00, carlos ortega wrote:
Greetings,
I used the line
babel *.sdf .mol2 -m
