Thomas,

so this kind of thing should work for the varian shapes as well I presume?

Andy

__________________________________________________
Andrew S. Lipton Ph. D.
Biological Sciences Division/Cell Biology & Biochemistry Group

FUNDAMENTAL AND COMPUTATIONAL SCIENCES DIRECTORATE 

Pacific Northwest National Laboratory
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On Mar 4, 2009, at 4:48 AM, Thomas Vosegaard wrote:

Hi,

Using the new shape pulse features of simpson 2 it is very easy to import a Bruker shape using the following procedure:

proc brukershape {shapefile} {

  global par

  set fp [open $shapefile r]

  foreach i [split [read $fp] "\n"] {

    if {[llength $i] != 2 || [string index $i 0] == "#"} {continue}

    set r [split $i ","]

    lappend pul [list [expr [lindex $r 0 0]] [expr [lindex $i 1 0]]]

  }

  close $fp

  return [list2shape $pul]

! }

This returns a shape-pulse pointer which ma y be used with the pulse_shaped command.

Thomas

*************************************************************************

Thomas Vosegaard, Assoc. Prof.

Director of Engineering Studies at Aarhus School of Engineering

Center for Insoluble Protein Structures (inSPIN)

Department of Chemistry and

Interdisciplinary Nanoscience Center (iNANO)

Aarhus University

Langelandsgade 140, DK-8000 Aarhus C, Denmark

Tel: +45 8942 3866, Cell: +45 6020 2639, Fax: +45 8619 6199

E-mail: tv@...! , Web: http://www.chem.au.dk/~tv

*************************************************************************

On Mar 4, 2009, at 07:15 , Jayanthi S wrote:

Dear All,
I have been trying to put Bruker shape file in simpson program. The atachement Dr. Thomas Vosegaard has provided long back (Nov 19 2007) is not seen. It would be nice if anyone please help me with this.

looking forward....

Thanks 
Jayanthi

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