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