VMD-L Mailing List

From: Joaquim Rui de Castro Rodrigues (joaquim.rodrigues_at_ipleiria.pt)
Date: Wed Nov 04 2015 - 06:14:13 CST

Dear Sourav,

I don't know what "geom_center" is, but your "$gec moveto {0 0 0}" command doesn't make sense: moveto operates on atomselections, and $gec is a list of xyz coordinates.

Regards,
Rui Rodrigues

________________________________
De: owner-vmd-l_at_ks.uiuc.edu [owner-vmd-l_at_ks.uiuc.edu] Em Nome De Sourav Ray [souravray90_at_gmail.com]
Enviado: quarta-feira, 4 de Novembro de 2015 10:33
Para: vmd-l_at_ks.uiuc.edu
Assunto: vmd-l: Shifting the Geometric Center of entire set of molecules to origin

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