[Open Babel] Difficulty appending OBMols in Perl (Was OBForceField in Perl)

2012-03-28 Thread Noel O'Boyle
Can you provide a short script that reproduces the problem? For example, with SMILES strings. - Noel On 26 March 2012 11:28, mwojcikowski wrote: > I've done some extra testing, when I wanted to write the simplest script to > recreate that problem. It seams it was my fault, and Setup does work >

Re: [Open Babel] Difficulty appending OBMols in Perl (Was OBForceField in Perl)

2012-03-30 Thread Maciek Wójcikowski
I've wrote short script to replicate that problem. #!/usr/bin/perl use Chemistry::OpenBabel; my $mol1 = new Chemistry::OpenBabel::OBMol; my $mol2 = new Chemistry::OpenBabel::OBMol; #my $mol3 = new Chemistry::OpenBabel::OBMol; # should not be necesary my $obConversion = new Chemistry::OpenBabel: