Example from tutorial:
>>> import gzip>>> inf = gzip.open('data/actives_5ht3.sdf.gz')>>> gzsuppl =
>>> Chem.ForwardSDMolSupplier(inf)>>> ms = [x for x in gzsuppl if x is not
>>> None]>>> len(ms)180
pozdrawiam
Adrian Jasiński
2014-01-31 Michał Nowotka <mmm...@gmail.com>:
> Hi,
>
> I need to process large, compressed SDF file. I was planning to use
> SDMolSupplier but there is a problem:
>
> 1. I can't just pass a file name, as this is compressed file and if I
> understand, SDMolSupplier doesn't support compressed files.
> 2. I can't read a file to string and then call setData() method of
> SDMolSupplier, because size of uncompressed string will be larger than
> available memory.
>
> The solution would be to obtain file handler (f = gzip.open(...)) but
> the problem is that there is no way (at least I don't know any) to
> pass it to SDMolSupplier.
>
> Any ideas?
>
> Kind regards,
> Michał Nowotka
>
>
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security intelligence. It gives you real-time visual feedback on key
security issues and trends. Skip the complicated setup - simply import
a virtual appliance and go from zero to informed in seconds.
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