> This only proves, that I really want to use it. Is the proof.py script
> working correctly for anybody (attached in previous mail)? It should ouptut
> molecules no. 5-10 out of 100 in proof.sdf
No, it doesn't work.
% python proof.py | wc
100 100 1300
Hmm. Chris, any idea why this wouldn't work from Python?
obconversion = OBConversion()
obconversion.SetInFormat("sdf")
obconversion.AddOption('f', obconversion.GENOPTIONS, "5")
obconversion.AddOption('l', obconversion.GENOPTIONS, "10")
obmol = OBMol()
notatend = obconversion.ReadFile(obmol,"proof.sdf")
while notatend:
print obmol.GetTitle()
obmol = OBMol()
notatend = obconversion.Read(obmol)
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