Hi Stefano,
That worked! Thanks!
Matthew
On Fri, Apr 24, 2015 at 3:34 PM, Stefano Forli <fo...@scripps.edu> wrote:
> Hi Matthew,
> I guess something like this could do the trick:
> -------------------------
> import gzip
> import pybel
>
> mol = pybel.readfile('sdf', 'filename.sdf').next()
> outfilename = 'example.sdf.gz'
> output = gzip.open(outfilename, 'wb')
> molString = mol.write(format='sdf')
> output.write(molString)
> output.close()
> -------------------------
> I didn't tested but I don't see why it shouldn't work(TM)
>
> S
>
>
>
> On 04/24/2015 03:12 PM, Matthew Lardy wrote:
>
>> Hi all,
>>
>> Does anyone have a route to write compressed sdf.gz files that are
>> compatible with
>> pybel.Outputfile?
>>
>> Thanks in advance!
>> Matthew
>>
>
> --
> Stefano Forli, PhD
>
> Staff Scientist
> Molecular Graphics Laboratory
> Dept. of Integrative Structural
> and Computational Biology, MB-112F
> The Scripps Research Institute
> 10550 North Torrey Pines Road
> La Jolla, CA 92037-1000, USA.
>
> tel: +1 (858)784-2055
> fax: +1 (858)784-2860
> email: fo...@scripps.edu
> http://www.scripps.edu/~forli/
>
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