Hello,
I'm trying to integrate some OpenEye tools into KNIME using Python scripts. I installed OpenEye's toolkits as Python modules in an Anaconda environment. I've set in KNIME the path to the python executable within this environment.
To call the OpenEye functions using Python outside KNIME I just have to use, e.g.:
from openeye.oechem import * mol = OEGraphMol()
And that works just fine, and "mol" is this object: <openeye.oechem.OEGraphMol; proxy of <Swig Object of type 'OEGraphMolWrapper *' at 0x7f94296cbae0> >
However, for calling the toolkit to KNIME's Python snippet I have to call the modules in sequence to not get errors:
import openeye
from openeye import oechem
from openeye.oechem import *
But, if I now run OEGraphMol(), or openeye.oechem.OEGraphMol() or oechem.OEGraphMol(), it does not find the function. Also, using dir(openeye.oechem), I do not get the functions. I think it is because of them being SWIG objects, but I think there is no way around using the SWIG objects in OpenEye's toolkits. Is there something I could try?