Hi,

Indeed for some reason InCHI is not built on windows. I'll have to fix it,
stay tuned for updates.

----
Pozdrawiam,  |  Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl

2016-10-15 9:30 GMT+02:00 Noel O'Boyle <baoille...@gmail.com>:

> I can't comment on the anaconda parts, but maybe Maciek can...
>
> Regarding pip, apologies, we're in the middle of releasing OB 2.4.1 and I
> haven't yet updated the "pip install" parts which need to be in synch with
> the OB install. Give me until Monday and it should be fine.
>
> Regarding uninstall, pip is lying. I guess it's a pip bug, but it doesn't
> uninstall when the pip package is a wheel. If you go to your site-packages
> directory you will see several openbabel files - I don't know if this is
> the problem though.
>
> - Noel
>
>
> On 14 Oct 2016 8:41 p.m., "Richard Marchese Robinson" <
> rmarcheserobin...@gmail.com> wrote:
>
>> Hi,
>>
>> I've been encountering difficulties getting Pybel to install for Anaconda.
>>
>> I would be grateful for any assistance you have time to provide.
>>
>> I managed to install Pybel via the following command:
>> conda install -c openbabel openbabel=2.4.1
>> [based on https://anaconda.org/openbabel/openbabel]
>>
>> However, it seems 'inchi' is not a recognised format, as shown below,
>> even though - when working with Pybel version 1.8 with Python 2.7.5
>> (vanilla Python installation) - the following sequence of commands worked
>> without error.
>>
>> ========================================
>> Python 2.7.12 |Anaconda 4.0.0 (32-bit)| (default, Jun 29 2016, 11:42:13)
>> [MSC v.1500 32 bit (Intel)] on win32
>> Type "help", "copyright", "credits" or "license" for more information.
>> Anaconda is brought to you by Continuum Analytics.
>> Please check out: http://continuum.io/thanks and https://anaconda.org
>> >>> import pybel
>> >>> mol = pybel.readstring('smi','c1ccccc1')
>> >>> mol.write('inchi')
>> Traceback (most recent call last):
>>   File "<stdin>", line 1, in <module>
>>   File "C:\Anaconda2\lib\site-packages\pybel.py", line 527, in write
>>     format)
>> ValueError: inchi is not a recognised Open Babel format
>> =========================================
>>
>> Please note that I did previously try getting Pybel via the PyPi
>> openbabel package [pip install openbabel], for which import pybel failed
>> with the message ["ImportError: DLL load failed: The specified procedure
>> could not be found."]. I do hope I have not created a mess. However, as
>> "pip uninstall openbabel" reported "Cannot uninstall requirement openbabel,
>> not installed", I believe the old PyPi installation was cleared up?
>>
>>
>> Best regards,
>>
>> Richard
>>
>>
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