Re: [Open Babel] Offtopic: SMILES format depiction tools

[Noel O'B. <bao...@gm...>]

Yes. You will have to learn Python though.

2009/2/17 David García Aristegui <ari...@cb...>:
> And, is possible to generate a 2D image from a .MOL/.SDF with Pybel?
> Thank you for your help, best regards.
>
> El mar, 10-02-2009 a las 13:44 +0000, Noel O'Boyle escribió:
>> You have asked two questions:
>>
>> (1) Is it possible to generate a 2D image from a SMILES with
>> OpenBabel? No (not yet). It is possible with Pybel though. In Python,
>> pybel.readstring("smi", "CC=O").draw()
>>
>> (2) Is it possible to generate a 3D structure from a SMILES with
>> OpenBabel? Yes. Google "openbabel 3D" gives
>> http://www.nabble.com/Convertion-from-smiles-to-3D-format-td21336948.html.
>> You may want to create a PDB file, if you want to read the file with
>> Jmol.
>>
>> Noel
>>
>> 2009/2/10 David García Aristegui <ari...@cb...>:
>> > Hello, are available to download and test tools or something like the
>> > Daylight "Depict" tool? http://www.daylight.com/daycgi/depict/
>> >
>> > For example, Jmol http://jmol.sourceforge.net can't work with SMILES...
>> > Maybe an option is to work with smi23d + Jmol?
>> > http://www.chembiogrid.org/cheminfo/smi23d
>> >
>> > Any suggestions? thank you in advanced, best regards.
>> >
>> >
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