That's strange, if I sum everything in the charge column in your molecule_H.mol2 file, I get -9.0 ...
Quoting "Mathias W." <m.we...@uni-bonn.de>: > Servus, > > I get both times over all charge zero (with ob-2.2.3) > > (molecule_H2.mol2 was produced with -h) > > > 2010/12/3 Douglas Houston <dhous...@staffmail.ed.ac.uk>: >> Hi all, >> >> Just wondering if anyone got a chance to test this molecule? I want to >> make sure it's not just my installation ... >> >> cheers, >> >> Doug > > > > -- > Mathias > _____________________________________________________ Dr. Douglas R. Houston Scientific Programme Coordinator / Research Associate Room 3.23 Institute of Structural and Molecular Biology Michael Swann Building King's Buildings University of Edinburgh Edinburgh, EH9 3JR, UK Tel. 0131 650 7358 -- The University of Edinburgh is a charitable body, registered in Scotland, with registration number SC005336. ------------------------------------------------------------------------------ Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! Tap into the largest installed PC base & get more eyes on your game by optimizing for Intel(R) Graphics Technology. Get started today with the Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. http://p.sf.net/sfu/intelisp-dev2dev _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
