[chimera-dev] Chimera orbitals alias question

Benjamin Looker bgl44 at cornell.edu
Sat Oct 13 14:34:32 PDT 2018


Hello!

My name is Benjamin Looker, I am a chemistry graduate student at Cornell
University, and our group often uses Chimera to visualize the orbitals
output from the DFT software ORCA.

When these .cube files are opened in Chimera, the two phases of the
wavefunction surface are given different colors and bars in the volume
viewer.

My question is, when using an alias command, how would one set the level
and color of only one of these phases, ie: to perform actions on only one
of the bars and colors, instead of homogenizing the whole function?

An alias such as:
alias ^orbitals volume all level 0.05 color #2d2d00000b0b style surface

Is great, but that pesky "all" undermines the point of the operation. I
have tried referencing model numbers, such as #0, #1, and #2 instead of
"all," but Chimera returns an error. I do not know the label of the object
that I am trying to affect.

Any help would be greatly appreciated!

Best,
-- 
Benjamin G. Looker
Graduate Student
Lancaster Group
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