[Open Babel] iBabel

2016-01-04 Thread Chris Swain
Hi, I’ve just released a new version of iBabel. Full details here. http://www.macinchem.org/ibabel/iBabel3_6.php Cheers, Chris -- ___ OpenBabel-discuss mailing list OpenBabel-

[Open Babel] azoxy

2016-01-04 Thread Stefano Guglielmo
Dear opnebabel users, I've made docking with autodock of some molecules containing an azoxy function; I need to generate sdf file from pdbqt, but openbabel seems to manage the molecules not so well as it adds hydrogens to the azoxy group. Any suggestion about generating a correct sdf file? Thanks