From: Ioana Cozmuta (
Date: Wed Nov 05 2003 - 17:00:40 CST


I want to analyze some big data files and I've tried to use the bigdcd
script from

I've copied the bigdcd.txt file into one of my directories in my auto_path
and after I start vmd I am trying to use the
package require bigdcd
but I get
can't find package bigdcd

I am sourcing then the file separately and then sourcing the following

source /u/ioana/vmd-1.8.1/lib/vmd/scripts/tcl/bigdcd

 proc mycoord { frame } {
    global Kion
    puts "$frame: [$Kion get { x y z}]
mol new {EqSPMK15.coor} type {pdb}
mol addfile {pore1Kspcm.prmtop} type {parm7}
set Kion [atomselect top {resid 799 and {resname "K+.*"}}]
$Kion global
bigdcd mycoord MTS_nve_1Kz15.dcd

I get the following message (and the script is stopped-not running)

bigdcd aborting at frame 1
missing "

The message [missing "] originates from the bigdcd_callback procedure and
it is read in the variable $msg via:
[catch {uplevel #0 $bigdcd_proc $bigdcd_frame} msg]

I thought initially that it has to
do with the way I define my selection but I've tried the example in the
bigdcd and I got the same error and the same definition of the selection
at the vmd prompter works just fine.

Did anyone else try to use the bigdcd script and got the same problem?
Any ideas/advice?


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