VMD-L Mailing List

From: Ioana Cozmuta (ioana_at_nas.nasa.gov)
Date: Wed Nov 05 2003 - 18:29:25 CST

Thanks a lot and sorry for this silly mistake! It really solves the
problem! Meanwhile I've also learned how
to find pairs of {}, [], "" in a vi file using the combination of "%" and
"n".

Ioana

On Wed, 5 Nov 2003, Brian Bennion wrote:

> 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 **
> *****************************************************************
>
>
>