oopppsss sorry, you are right ...
On 15 May 2013 10:33, Greg Landrum <greg.land...@gmail.com> wrote:
>
> 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 <jeanpaul.ebe...@inhibox.com> 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 <greg.land...@gmail.com> wrote:
>>
>>> Hi JP,
>>>
>>>
>>> On Tue, May 14, 2013 at 3:43 PM, JP <jeanpaul.ebe...@inhibox.com> 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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