Re: [Avogadro-Discuss] Problem with a cube file

2013-02-13 Thread Eduard Matito
Ok, I see. Thanks. Eduard On Feb 12, 2013, at 3:36 AM, Geoffrey Hutchison geo...@pitt.edu wrote: At the moment, there is no patch. This would require a sizable change to the Open Babel library which Avogadro uses. My suggestion would be to try VMD for now. Sorry I can't be of more help,

Re: [Avogadro-Discuss] Problem with a cube file

2013-02-11 Thread Geoffrey Hutchison
At the moment, there is no patch. This would require a sizable change to the Open Babel library which Avogadro uses. My suggestion would be to try VMD for now. Sorry I can't be of more help, -Geoff --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412)

Re: [Avogadro-Discuss] Problem with a cube file

2012-06-05 Thread Geoff Hutchison
The problem I encounter is that the plotted density is shifted from the atoms, without any particular reason apparently. I attached a png of the Avogadro rendering and the ParaView rendering, so that you can see more clearly what I mean. At the moment, the Open Babel cube code (used by

Re: [Avogadro-Discuss] Problem with a cube file

2012-06-05 Thread Roberto Di Remigio
On 06/05/2012 09:39 PM, Geoff Hutchison wrote: The problem I encounter is that the plotted density is shifted from the atoms, without any particular reason apparently. I attached a png of the Avogadro rendering and the ParaView rendering, so that you can see more clearly what I mean. At