The issue would likely be with the underlying Open Babel library. I thought we had a special case for detecting H2, but it's possible there's a bug in bond detection.
Can you send me the file? I'm also a bit confused why the bond disappears after the first frame when drawn by hand, but I'll investigate. Thanks very much, -Geoff --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: geo...@pitt.edu web: http://hutchison.chem.pitt.edu/ On Jan 13, 2014, at 11:53 AM, Xavier Andrade <xav...@tddft.org> wrote: > Hi, > > I am trying to render an animation that involves H2 molecules with > Avogadro. The problem is that Avogadro is failing to recognize and > draw the bond between the two hydrogen atoms in the H2 molecules, it > just draws two isolated H atoms. The atoms are initially set at the > experimental distance of 0.74 Angstrom. > > Since I need the bonds to change dynamically, drawing the bond by hand > is not a solution, as it is lost after the first frame. > > Can you suggest me how to solve this problem? Is it possible to > configure the cutoff distance for bonds or something like that? > > Thank you, > > Xavier > > PS: I am using Avogadro from Debian Sid: Application Version 1.0.3, > Library Version 1.0.3, Open Babel 2.3.2 and Qt Version: 4.8.6. > > ------------------------------------------------------------------------------ > CenturyLink Cloud: The Leader in Enterprise Cloud Services. > Learn Why More Businesses Are Choosing CenturyLink Cloud For > Critical Workloads, Development Environments & Everything In Between. > Get a Quote or Start a Free Trial Today. > http://pubads.g.doubleclick.net/gampad/clk?id=119420431&iu=/4140/ostg.clktrk > _______________________________________________ > Avogadro-Discuss mailing list > Avogadro-Discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/avogadro-discuss ------------------------------------------------------------------------------ CenturyLink Cloud: The Leader in Enterprise Cloud Services. Learn Why More Businesses Are Choosing CenturyLink Cloud For Critical Workloads, Development Environments & Everything In Between. Get a Quote or Start a Free Trial Today. http://pubads.g.doubleclick.net/gampad/clk?id=119420431&iu=/4140/ostg.clktrk _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
