On Oct 24, 2014, at 1:13 AM, ftorazyne wrote:
> I modified code in accordance with your recommendation and obtained in
> general same output:
I cannot explain it. Looking at the code, there are two different OBConversion
instances. There's no way that's supposed to cause a problem, but try this
anyway - I call the lower-level functions directly:
import openbabel as ob
obconversion = ob.OBConversion()
print "SetInFormat", obconversion.SetInFormat("smi")
for description in obconversion.GetSupportedInputFormat():
if "smi" in description:
print repr(description)
On my system the last few lines produce:
>>> print "SetInFormat", obconversion.SetInFormat("smi")
SetInFormat True
>>> for description in obconversion.GetSupportedInputFormat():
... if "smi" in description:
... print repr(description)
...
'rsmi -- Reaction SMILES format'
'smi -- SMILES format'
'smiles -- SMILES format'
Andrew
da...@dalkescientific.com
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