Hi,
I noticed some trivial python mixups in the perl openbabel example. Here is
a working version:
use Chemistry::OpenBabel;
my $obconversion = new Chemistry::OpenBabel::OBConversion;
$obconversion->SetInFormat("sdf");
my $obmol = new Chemistry::OpenBabel::OBMol;
my $notatend = $obconversion->ReadFile($obmol, $ARGV[0]);
while ($notatend) {
print $obmol->GetMolWt(), "\n";
$obmol->Clear();
$notatend = $obconversion->Read($obmol);
}
--
*************************************************************
Jan Wildenhain tel: +1-416-586 4800 # 2867
Bioinformatics BSc (Hons) email: jan...@gm...
Tyers Lab
Samuel Lunenfeld Research Institute
Mount Sinai Hospital
600 University Avenue
Toronto, Ontario
M5G 1X5
Canada http://www.mshri.on.ca/tyers/
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