VMD-L Mailing List

From: Charles McCallum (mmccallum_at_uop.edu)
Date: Mon Aug 11 2003 - 17:03:37 CDT

I'm generation an aggregate using the tcl scripting in vmd (1.8.1).
I'm able to generate the starting shape I want, but in my
manipulations, my molecules are sitting off to one side (with respect
to the origin). I'd like to reset the origin to the center of my
aggregate (c-o-mass or spatial), or move the aggregate as a unit to the
origin but I can't seem to do it. I found this earlier email exchange:

http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/1413.html : 

--
Here's how you can set the center of rotation to the geometrical center
of selection (use "measure center $sel weight mass" for the center of 
mass).
set sel [atomselect top "resid 23 25 57"]
set center [list [measure center $sel]]
foreach mol [molinfo list] {
    molinfo $mol set center $center
}
--
When I try this sort of thing, my view/origin doesn't change.  I've 
kept the axes at the origin to help me visualize this.  Any help with 
this would be appreciated.
Cheers,
Mike
--
C. Michael McCallum                        
http://chem.cop.uop.edu/cmmccallum.html
Associate Professor
Department of Chemistry, UOP
mmccallum .at. uop . edu                (209) 946-2636 v  / (209) 
946-2607 fax