VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sun Jul 31 2011 - 09:50:29 CDT

On Sun, Jul 31, 2011 at 7:13 AM, hanif mahboobi <hanifmahboobi_at_yahoo.com>wrote:

> Dear VMD users
>
> in the following part of the tcl code, moveby generates this error:
>
> atomselect moveby: non-numeric in vector
>
> I wonder how this issue can be handled. I need to use the values of some
> variables in "mobeby" command.
>

this is not a VMD issue, but rather a Tcl issue.

...and it is one that is easy to handle. i suggest you have
a good look at the Tcl tutorial:

http://www.tcl.tk/man/tcl/tutorial/tcltutorial.html

check out sections 5, 6 and and particularly 17, the 101 on lists:

http://www.tcl.tk/man/tcl/tutorial/Tcl14.html

axel.

>
> Regards,
>
> Hanif
>
>
> for {set countx 1} {$countx <= $segnum} {incr countx} {
> for {set county 1} {$county <= $segnum} {incr county} {
> for {set countz 1} {$countz <= $segnum} {incr countz} {
> set segid P$countx$county$countz
> segment $segid {
>
> set offx [expr $countx*$driftx]
> set offy [expr $county*$drifty]
> set offz [expr $countz*$driftz]
>
> $fsfg moveby {$offx $offy $offz}
> $fsfg writepdb fsfg_shift_temp.pdb
> pdb fsfg_shift_temp.pdb
> }
>
> coordpdb fsfg_shift_temp.pdb $segid
> }
> }
> }
> 

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.