VMD-L Mailing List

From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Thu Dec 01 2016 - 15:11:56 CST

Hi Brian,

A selection has a frame assigned to it, and you can't set it all at once
from my experience (although that would be nice!). Instead, you loop
over each frame, and assign the user field on a frame by frame basis.

for { set f 0 } { $f < [molinfo top get numframes } { incr f } {
$sel frame $f
$sel set user [lindex $somegiant2Dlist $f]
}

This means that your property list needs to be 2-dimensional, and you
need to iterate over every frame.

-Josh

On 12/01/2016 01:58 PM, Brian Radak wrote:
> Apologies if this is a repeat.
>
> I am trying to make use of the "user" field in having a dynamic
> representation that changes at each time step. This is just a simple
> boolean that turns off or on a small set of atoms as part of a larger
> selection.
>
> How does one assign a time series to the user field? For each atom I
> have a Tcl list with size equal to the number of DCD frames, but the
> following does not seem to work:
>
> % set myProperty <list of size equal to numframes>
> % set sel [atomselect <selection for a single atom>]
> % $sel set user $myProperty
>
> Is "user" not a time dependent property by default? The help message for
> "atomselection set" does not seem to indicate any further keywords to
> flag that.
>
> Brian
>