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
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La Jolla, CA 92037-1000, USA.
tel: +1 (858)784-2055
fax: +1 (858)784-2860
email: [email protected]
http://www.scripps.edu/~forli/
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