Re: [Jmol-users] render compound as single atom

2013-05-29 Thread Angel Herráez
Martin, this seems to work: load $caffeine; data "append dummies"|1|dummies|Xx 0 0 0|end "append dummies"; select 2.1; color translucent white; frame all; {atomno=1 & 2.1}.xyz = {1.1}.xyz; {atomno=1 & 2.1}.spacefill = 4.0; ---

Re: [Jmol-users] render compound as single atom

2013-05-29 Thread Angel Herráez
Hi Martin Easy solution would be to draw a sphere, but since you want to be able to select by mouse, I think you will have to add dummy atoms. I guess that may be done using the "data" command (investigate that, I cannot give you precise guidance). Once you have the dummy atom, position it usi

[Jmol-users] render compound as single atom

2013-05-29 Thread Martin Guetlein
Hi, What is the best way to render a compound as a sphere (a single c-atom)? I am displaying a cloud of compounds at once, and I would need to switch easily between the normal compound rendering, and the single atom rendering. The view (3d-positions, zooming) should not change, and the single sph