I'm sorry I've overlooked this. Thank you for help.
On Fri, Jan 31, 2014 at 2:58 PM, Adrian Jasiński
<jasinski.adr...@gmail.com> wrote:
> 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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>
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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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