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

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

[Open Babel] Rdk-it 1.0.0 released

Hi,Rdk-it can now be downloaded from our website (www.silicos-it.com).Rdk-it is a package of Python tools and functions that have been build on top of the open source chemoinfomatics toolkit RDKit. The current version of Rdk-it contains Qed, a Python function and standalone tool to calculate the

[Open Babel] Correction: Rdk-it renamed into Biscu-it

Hi,in order to avoid confusion (we originally didn't made the link, although it is rather obvious though), we decided to change the name Rdk-it into Biscu-it. Please feel free to check out the free code at www.silicos-it.com- Hans www.silicos-it.comA division of Imacosi bvbaDe Roskam 35,2970

Re: [Open Babel] Rdk-it 1.0.0 released

Is this the same as Biscu-it? Cheers Chris Message: 5 Date: Fri, 30 Mar 2012 15:26:49 +0200 From: Hans De Winter h...@silicos-it.com Subject: [Open Babel] Rdk-it 1.0.0 released To: openbabel-discuss@lists.sourceforge.net Message-ID: ed057a17-8713-44fa-9f8e-5600093c4...@silicos-it.com