Why does it need an update? The RDKit is available in ubuntu in revs 12.04
and later. It's just not always the most up-to-date RDKit (debian packages
are rarely the most up-to-date)
-greg
On Wed, May 15, 2013 at 10:58 AM, JP <[email protected]> wrote:
> Merci Greg,
>
> This needs an update then:
> https://github.com/rdkit/rdkit/blob/master/Docs/Book/Install.rst
>
> "Ubuntu 12.04 and later"
>
>
> On 15 May 2013 04:49, Greg Landrum <[email protected]> wrote:
>
>> Hi JP,
>>
>>
>> On Tue, May 14, 2013 at 3:43 PM, JP <[email protected]> wrote:
>>
>>> On:
>>>
>>> jpebe@ned:~/dphil/ligity_vs_es_tests$ lsb_release -a
>>> No LSB modules are available.
>>> Distributor ID: Ubuntu
>>> Description: Ubuntu 12.04.2 LTS
>>> Release: 12.04
>>> Codename: precise
>>>
>>> Fresh rdkit install via:
>>>
>>> sudo apt-get install python-rdkit librdkit1 rdkit-data
>>>
>>> Gives:
>>>
>>> >>> import rdkit
>>> >>> from rdkit import Chem
>>> >>> s = Chem.ForwardSDMolSupplier('test.sdf')
>>> Traceback (most recent call last):
>>> File "<stdin>", line 1, in <module>
>>> AttributeError: 'module' object has no attribute 'ForwardSDMolSupplier'
>>> >>>
>>>
>>> Any ideas?
>>>
>>
>> The version of the RDKit that is available via deb in ubuntu 12.04 is
>> v2011.06. The ForwardSDMolSupplier was not added to the python wrappers
>> until v2011.12.1. ubuntu 12.10 includes v2012.03, so it should have
>> ForwardSDMolSupplier.
>>
>> I don't believe that there's a backport version of the v2012.03 package
>> available, so, unfortunately, on the current LTS version of Ubuntu (12.04),
>> you will need to install from source to get the functionality.
>>
>> -greg
>>
>>
>>
>
>
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