Keiron O'Shea [keo7]
2017-07-10 23:46:02 UTC
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: 00 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.
--------------------------------------------------------------------
Un o’r 4 prifysgol uchaf yn y DU a’r orau yng Nghymru am fodlonrwydd myfyrwyr.
(Arolwg Cenedlaethol y Myfyrwyr 2016)
www.aber.ac.uk
Top 4 UK university and best in Wales for student satisfaction
(National Student Survey 2016)
www.aber.ac.uk
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: 00 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.
--------------------------------------------------------------------
Un o’r 4 prifysgol uchaf yn y DU a’r orau yng Nghymru am fodlonrwydd myfyrwyr.
(Arolwg Cenedlaethol y Myfyrwyr 2016)
www.aber.ac.uk
Top 4 UK university and best in Wales for student satisfaction
(National Student Survey 2016)
www.aber.ac.uk