From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Tue Oct 29 2013 - 07:16:46 CDT
Try removing the doubled brackets
$atom set {x y z} {{1.0 2.0 3.0}}
to
$atom set {x y z} {1.0 2.0 3.0}
Norman Geist.
Von: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] Im Auftrag von
Lukáš Pravda
Gesendet: Dienstag, 29. Oktober 2013 10:40
An: vmd-l_at_ks.uiuc.edu
Betreff: vmd-l: Creating custom molecule in VMD scripting
Dear all, I'm fairly new user to VMD (win32 v. 1.9.1) and I would like to
create a custom molecule in VMD using tk scripting. I have found several
tutorials for that purpose, however, none of them works fine for me. Let say
I'd like to create a molecule of 3 atoms with given radius.
Now I'm doing something like this
set m [mol new atoms 3]
mol top $m
set atom [atomselect top "index 0"]
$atom set {x y z} {{1.0 2.0 3.0}}
$atom set radius 1.4
set atom [atomselect top "index 1"]
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