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
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, SlashDot.org! http://sdm.link/slashdot
_______________________________________________
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
