How was Open Babel and Pybel installed?
On 11 July 2017 at 00:46, Keiron O'Shea [keo7] <k...@aber.ac.uk> wrote:
> Hey there,
>
> I'm trying to use pybel, but I seem to be experiencing some sort of encoding
> error.
>
> Example Code:
>
> ```
> import pybel
>
> print pybel.descs
>
> mol = pybel.readstring("inchi",
> "InChI=1S/C7H4Cl4/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3")
> print mol.calcdesc()
> ```
>
> Returns:
>
>
> ```
> /usr/bin/python2.7 "/home/keo7/.code_factory/playground/test.py"
> ['0\x0e0\x01', '\xd0\x8d6\x01', 'ecules', 'cansmi', 'cansmiNS',
> '`\xd8\xff\x15j\x7f', 'formula', 'HBA1', 'HBA2', 'HBD', 'InChI', 'InChIKey',
> 'tbonds', 'logP', 'MP', 'MR', 'MW', 'nF', 's', 'SmartsDescriptor', 'smarts',
> 'P\x01', 'title', 'TPSA']
> Traceback (most recent call last):
> File "/home/keo7/Desktop/DIMEdb playground/dimedb/rdkit_stuff.py", line 6,
> in <module>
> print mol.calcdesc()
> File "/usr/lib/python2.7/dist-packages/pybel.py", line 360, in calcdesc
> raise ValueError("%s is not a recognised Open Babel descriptor type" %
> descname)
> ValueError: 0 0 is not a recognised Open Babel descriptor type
> ```
>
> My system is running a 64bit installation of Ubuntu 16.04.
>
> Any support would be much appreciated!
>
> Keiron.
>
>
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