I tried using the solution below but am still getting the segmentation fault
error.  Has anyone else had success with this?

my
$x="InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)";
push(@inchis,$x);
my $obMol = Chemistry::OpenBabel::OBMol->new();
my $obConversion = Chemistry::OpenBabel::OBConversion->new();
my $genOp = Chemistry::OpenBabel::OBOp::FindType("gen3D");
$obConversion->SetInAndOutFormats("inchi", "sdf");

foreach my $inchi (@inchis)
{
    $obConversion->ReadString($obMol, $inchi);
    $genOp->Do($obMol);
    print $obConversion->WriteString($obMol);
}





--
View this message in context: 
http://forums.openbabel.org/Generating-3D-SDF-from-InChI-with-Perl-tp4656808p4658256.html
Sent from the General discussion mailing list archive at Nabble.com.

------------------------------------------------------------------------------
Dive into the World of Parallel Programming The Go Parallel Website, sponsored
by Intel and developed in partnership with Slashdot Media, is your hub for all
things parallel software development, from weekly thought leadership blogs to
news, videos, case studies, tutorials and more. Take a look and join the 
conversation now. http://goparallel.sourceforge.net/
_______________________________________________
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss

Reply via email to