From: Jan W. <jan...@gm...> - 2006-11-14 16:26:48
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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/ ************************************************************* |