Is the documentation at
http://openbabel.org/wiki/Using_OpenBabel_from_Python#Atoms_and_Moleculesunclear?
- Noel
2009/11/15 macc_200 <[email protected]>
>
> Hi,
> I've identified some atoms matching a SMARTS pattern in a 3d sdf that I
> want to extract. I used linecache.getline in Python to pull out the atoms
> by line number. This works fine for one molecule in the sdf but with more
> than one molecule, all the headers for subsequent ones make it difficult to
> identify atoms by line number. Is there a way in pybel to directly identify
> atoms.
> thanks
> Andy
>
>
>
>
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