VMD-L Mailing List

From: Thomas C. Bishop (bishop_at_latech.edu)
Date: Mon Aug 11 2014 - 11:59:51 CDT

Greetings VMD,

I have a program that generates coordinate information.
What's the recommended means of initializing a new molecule from memory rather than file?
Below is my initial attempt/ideas.
Thanks
TOm

a quick read of the html suggests (something like) the following is possible
but it I"m missing something w/ the set command

vmd > mol new atoms 2
0
vmd > set all [atomselect top "all" ]
atomselect0
vmd > $all set { x } { { 1.0 } { 2.0} }
vmd > $all get { x}
0.0 0.0
vmd > $all get { x y z }
{0.0 0.0 0.0} {0.0 0.0 0.0}
vmd > $all get name
X X
vmd > $all set name { CA }
vmd > $all get name
CA CA
vmd > $all set x { 1 }
vmd > $all get x
0.0 0.0
vmd > 

-- 
*******************************
   Thomas C. Bishop
    Tel: 318-257-5209
    Fax: 318-257-3823
   www.latech.edu/~bishop
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