VMD-L Mailing List

From: Ban Arn (ban.arn_at_gmail.com)
Date: Tue May 01 2012 - 09:23:52 CDT

Dear Axel

Thanks puts command writes the ouput to the saved file.

Many Thanks
Balaji

On Tue, May 1, 2012 at 1:28 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> On Tue, May 1, 2012 at 6:55 AM, Ban Arn <ban.arn_at_gmail.com> wrote:
> > Dear VMD users
> >
> > I got the script from the vmd mailing list for calculating helical
> content
> > of the residues.
> >
> > set outfile [open protein_SS.txt w]
> > set numframes [molinfo top get numframes]
> > set sel [atomselect top "resid 56 to 83 and name CA"]
> > set helcounts [list]
> > foreach ind [$sel get index] {
> > lappend helcounts 0
> > }
> > for {set i 0} {$i < $numframes} {incr i} {
> > animate goto $i
> > display update ui
> > mol reanalyze top
> > set structs [$sel get structure]
> > for {set j 0} {$j < [llength $structs]} {incr j} {
> > if {[lindex $structs $j] == "H"} {
> > set helcounts [lreplace $helcounts $j $j [expr [lindex
> $helcounts
> > $j] + 1] ]
> > }
> > }
> > }
> >
> > The scripts runs however it doesn't gives the vmdoutput of list of
> frames &
> > the residue helical content.
>
> why should it? there is no "puts" command anywhere.
> you cannot have output without writing.
>
> > Kindly advice.
>
> please spend some time learning basic Tcl.
>
> axel.
>
>
> > Many Thanks
> > Balaji
> >
>
>
>
> --
> Dr. Axel Kohlmeyer
> akohlmey_at_gmail.com http://goo.gl/1wk0
>
> College of Science and Technology
> Temple University, Philadelphia PA, USA.
>