From: Noel O'B. <bao...@gm...> - 2006-11-16 15:18:37
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I've made the changes. Thanks! On 14/11/06, Jan Wildenhain <jan...@gm...> wrote: > 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/ > ************************************************************* > ------------------------------------------------------------------------- > Take Surveys. Earn Cash. Influence the Future of IT > Join SourceForge.net's Techsay panel and you'll get the chance to share your > opinions on IT & business topics through brief surveys - and earn cash > http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV > > _______________________________________________ > OpenBabel-scripting mailing list > Ope...@li... > https://lists.sourceforge.net/lists/listinfo/openbabel-scripting > > > |