VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Mar 30 2006 - 17:24:24 CST

Hi,
  Due to the way VMD and Tcl handle events, and in particular due to the
way the scene manipulation commands work (for performance reasons) you
have to do this a little differently than you might expect:

proc mywait { waittime } {
  set starttime [clock seconds]
  while {[expr [clock seconds] - $starttime < $waittime]} {
  }
}

proc myrotate { axis angle step } {
  for {set i 0} {$i < $angle} {incr i $step} {
    rotate $axis by $step
    display update ui
  }
}

mol delete all
mol new 1tit
mol delrep 0 top
mol representation Tube 0.4 6
mol color Name

mol selection {protein}
mol material Opaque
mol addrep top
mol rename top {dimer_LGH.pdb}
myrotate y 360 5
mywait 10
mol delrep 0 top
mol representation CPK 1.4 0.5 8 8
mol color Name
mol selection {protein}
mol addrep top

On Thu, Mar 30, 2006 at 02:37:49PM -0800, Harindar Keer wrote:
> Hi,
>
> I am trying to write a script describe biological system in VMD. I am
> trying to do something as following
> i) Load molecule in CPK representation
> ii) rotate it by 360
> ii) And then change representation to VDW after waiting for sometime
> and then to NewCartoon representation.
>
> The issue is all I get to see is NewCartoon representation roataing at
> the end, I tried wait and also waitfor, suggested by John on mailing
> list, it seems to stop the rotation and again start after time.
>
> I used "play" to load following script
>
> mol new {./Desktop/1LGH_A.pdb} type pdb
> mol delrep 0 top
> mol representation Tube 0.4 6
> mol color Name
>
> mol selection {protein}
> mol material Opaque
> mol addrep top
> mol rename top {dimer_LGH.pdb}
> rotate y by 360 5
> wait 10
> mol delrep 0 top
> mol representation CPK 1.4 0.5 8 8
> mol color Name
> mol selection {protein}
> mol addrep top
>
>
>
> Many thanks,
> Harindar 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078