VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Oct 28 2002 - 10:34:44 CST

Hi,
  Yes, you can write to files using the Tcl "open", "close", and
"puts" commands, and other variations:
  http://www.tcl.tk/man/tcl8.3/TclCmd/open.htm
  http://www.tcl.tk/man/tcl8.3/TclCmd/close.htm
  http://www.tcl.tk/man/tcl8.3/TclCmd/puts.htm

You can do "set foo [ some VMD/Tcl commands ]" to put the results
of VMD commands into a variable, and then use
"puts $myfile $foo" to write it out, or you can even do things
like: "puts $myfile [some VMD/Tcl command]"
In both cases, $myfile is what you get back from calling "open" on
a file.

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Oct 28, 2002 at 12:16:41PM +0100, Vlad Cojocaru wrote:
> Dear VMD users,
> If I am using an RMSD calculation script (like the one below) the
> results are dumped in the vmd console.
> Is there a way to dump the results in a file????
> Thanks a lot for any answers,
> vlad
>
>
> mol load pdb rna_ion_wat.pdb
> mol load pdb rna_ion_wat_mdeq_final.pdb
>
> set sel3 [atomselect 0 {resid 1 to 17}]
> set sel4 [atomselect 1 {resid 1 to 17}]
>
> set tm [measure fit $sel3 $sel4]
>
> set move_sel [atomselect 0 "all"]
>
> $move_sel move $tm
>
> measure rmsd $sel3 $sel4
>
> atomselect0 num
> atomselect1 num
> atomselect2 num
>
> --
> Vlad Cojocaru
> Max Planck Institut for Biophysical Chemistry
> Deparment: 060
> Am Fassberg 11, 37077 Goettingen, Germany
> tel: ++49-551-201.1389
> e-mail: Vlad.Cojocaru_at_mpi-bpc.mpg.de
>
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349              
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078