VMD-L Mailing List

From: wenchangyu2006_at_gmail.com
Date: Sun Jan 03 2010 - 02:48:55 CST

I tried and the following is the command I use. But I only got three
cylinder very close to each other. Is this correct, Axel?

#################################
(min) 49 % set A [atomselect top "segname PROA"]
atomselect0
> Main< (min) 50 % measure inertia $A
{-24.122135162353516 7.692004203796387 -0.09794879704713821}
{{0.9903391599655151 0.10843361169099808 -0.08643212914466858}
{-0.0953688696026802 0.9850993752479553 0.14312227070331573}
{0.10066349804401398 -0.13349664211273193 0.9859236478805542}}
> Main< (min) 56 % draw color white
0
> Main< (min) 57 % draw cylinder {-24.122135162353516 7.692004203796387
> -0.09794879704713821} {0.9903391599655151 0.10843361169099808
> -0.08643212914466858} radius 0.5
1
> Main< (min) 58 % draw color red
2
> Main< (min) 59 % draw cylinder {-24.122135162353516 7.692004203796387
> -0.09794879704713821} {-0.0953688696026802 0.9850993752479553
> 0.14312227070331573} radius 0.5
3
> Main< (min) 60 % draw color blue
4
> Main< (min) 61 % draw cylinder {-24.122135162353516 7.692004203796387
> -0.09794879704713821} {0.10066349804401398 -0.13349664211273193
> 0.9859236478805542} radius 0.5
5
> Main< (min) 62 %
###################################



2010-1-3ÉÏÎç6:24£¬Axel Kohlmeyer <akohlmey_at_gmail.com>׫д£º
> > 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:
> {xy


> > 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 {xyz} {a1 b1 c1} redius 0.5


> > draw cylinder {xyz} {a2 b2 c2} redius 0.5


> > draw cylinder {xyz} {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.