VMD-L Mailing List

From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Wed Nov 05 2003 - 17:52:38 CST

You need to add the last quote on the puts statement...
Brian

On Wed, 5 Nov 2003, Ioana Cozmuta wrote:

>
> Hi,
>
> I want to analyze some big data files and I've tried to use the bigdcd
> script from http://www.ks.uiuc.edu/Research/vmd/script_library/
>
> 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
> script
>
>
> 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 "
> bigdcd_done
>
> 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?
>
> Thanks,
> Ioana
> 

-- 
*****************************************************************
**Brian Bennion, Ph.D.                                         **
**Computational and Systems Biology Division                   **
**Biology and Biotechnology Research Program                   **
**Lawrence Livermore National Laboratory                       **
**P.O. Box 808, L-448    bennion1_at_llnl.gov                     **
**7000 East Avenue       phone: (925) 422-5722                 **
**Livermore, CA  94550   fax:   (925) 422-6605                 **
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