Hello,
I am currently struggling with a particular interaction in openbabel.
When I run the following python code, the obConversion object correctly
reads X, but it just stalls on Y.
***
import openbabel
import sys
obConversion = openbabel.OBConversion()
obConversion.SetInAndOutFormats("smi", "can")
mol = openbabel.OBMol()
X = "Clc1c(C=NNc2ccc(Cl)c(c2)C(=O)O)cccc1Cl"
obConversion.ReadString(mol, X)
sys.stdout.write("X read\n")
mol2 = openbabel.OBMol()
Y =
"c1ccc2c(c1)ccc1cc3c4c(cccc4c4c5c6cc7ccc8ccccc8c7c7cccc(c67)c5c5c(c34)c3cccc4c6c(ccc7ccccc67)cc5c34)c21"
obConversion.ReadString(mol2, Y)
sys.stdout.write("Y read\n")
***
Is there an explanation or a fix for this?
Thank you for your time,
- Brad Calhoun, Washington University in St Louis, Pathology
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