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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 may be used with the pulse_shaped command.
Thomas
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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
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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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