tags from sdf file

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tags from sdf file

Damian Krstajic
Hello,

Is there an easy way, i.e. using Babel's command line programs, to get tag values for each molecule in an sdf file. For example, in an sdf file each molecule has a tag <MY_ID> and I would like to get SMILES and the value of MY_ID from the sdf file. I know how to get SMILES from sdf.

Thanks in advance.
DK


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Re: tags from sdf file

Noel O'Boyle
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There is indeed an easy way. It's --append. See the manual at
http://openbabel.org/wiki/Babel.

On 23 April 2010 14:45, Damjan Krstajic <[hidden email]> wrote:

> Hello,
>
> Is there an easy way, i.e. using Babel's command line programs, to get tag
> values for each molecule in an sdf file. For example, in an sdf file each
> molecule has a tag <MY_ID> and I would like to get SMILES and the value of
> MY_ID from the sdf file. I know how to get SMILES from sdf.
>
> Thanks in advance.
> DK
>
> ________________________________
> Get a new e-mail account with Hotmail - Free. Sign-up now.
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> _______________________________________________
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> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
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>

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