autodock-getdata ================ The integration of 'getData' with Debian is still in its infancy. We will be learning while we are doing it. The PDBQT-variant of mol2 files in ZINC is described in November 2, 2009 volume 8 of the FightAids@Home newletter, available online on http://fightaidsathome.scripps.edu/images/FAAHvol8.pdf Files can be retrieved manually on http://zinc.docking.org/pdbqt/ -- Steffen Moeller Sun, 04 Sep 2011 00:51:12 +0200