VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sat Jan 02 2010 - 16:24:07 CST

> Step 1, make a selection for the atoms I want to draw the line
> % set A [atomselect top "segname PROA"];
>
> Step 2, measure the interia for the selection
> % measure interia $A
> (In this step, the following information will come out: center of mass: {x y
> z} and vector of the largest moment of inertia for the corresponding
> selection: {{a1 b1 c1} {a2 b2 c2} {a3 b3 c3}} )
>
> Then I think the line in direction1 will be the one from (x,y,z) to
> (a1,b1,c1), and so are the lines in direction2 and direction3.
>
> Step 3, use the command ""draw line point1 point2" or "draw cylinder point1
> point2". The color can be modified to red by using command like "draw color
> red", for example.
> draw color red
> draw cylinder {x y z} {a1 b1 c1} redius 0.5
> draw cylinder {x y z} {a2 b2 c2} redius 0.5
> draw cylinder {x y z} {a3 b3 c3} redius 0.5
>
> Done!
>
> Axel & John, am I right?

have you actually _tried_ this?

this way you can answer your own question very easily.

i already gave you a breakdown of how i think
this image was scripted, and that was somewhat
different from what you propose.

none of us will write this script for you, no matter how
hard you try. at least not without any compensation
for the effort.

cheers,
    axel.

>
> Best,
> Wenchang
> 

-- 
Dr. Axel Kohlmeyer    akohlmey_at_gmail.com
Institute for Computational Molecular Science
College of Science and Technology
Temple University, Philadelphia PA, USA.