Am I missing an option, or is OB tromping on my chiral flag?
Using Open Babel 2.3.0, as the script below shows, a mol file
with chiral flag set is read in, but when written out, it is gone?
-- Dave Nunn
#!/usr/bin/perl
use strict;
use Chemistry::OpenBabel;
undef($/);
my $molfile = ;
my $obmol = n
Did anyone get a Perl version that works? I've been attempting something
analogous using:
$OBConversion->SetOutFormat('sdf');
$OBConversion->AddOption('gen2d',
$Chemistry::OpenBabel::OBConversion::GENOPTIONS);
but $OBConversion->WriteString($OBMol) warns about missing coords and gives
me all 0.000
