VMD-L Mailing List

From: Tim Lo (timlo_at_connect.hku.hk)
Date: Fri Nov 06 2015 - 22:38:19 CST

Hi Sourav,

Try this:
set A [atomselect top all]
set minus_com [vecsub {0.0 0.0 0.0} [measure center $A]]
$A moveby $minus_com

Is it what you want to do?

Regards,
Tim
Research Associate
Department of Chemistry
The University of Hong Kong

On 4/11/2015 18:33, Sourav Ray wrote:
> Greetings
>
> I tried using geom_center to do that, but running the tcl or even proc
> directly with the selection of atoms (as input) is not working.
> " invalid command name 'geom_center'.
>
> Also tried to shift the geometric center using the code below, but
> move command is displaying error as "invalid command name <current
> geometric center>"
>
> set sel [atomselect top all]
> set gec [measure center $sel]
> $gec moveto {0 0 0}
> $sel moveby [vecscale -1.0 $gec]
> $sel moveby $gec
>
> Thanks and regards
> Sourav Ray