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Bruker Shape files   Message List  
Reply | Forward Message #834 of 892 |
Re: [simpson-simmol] Bruker Shape files

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
902 Battelle Boulevard
P.O. Box 999, MSIN K8-98
Richland, WA  99352 USA
Tel:  509-371-6533
Fax: 509-371-6546
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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 may 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
*************************************************************************





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





Wed Mar 4, 2009 4:52 pm

aslipton
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Message #834 of 892 |
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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....
Jayanthi S
mssjayanthi
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Mar 4, 2009
6:15 am

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} { ...
Thomas Vosegaard
vosegaard
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Mar 4, 2009
12:49 pm

Thomas, so this kind of thing should work for the varian shapes as well I presume? Andy __________________________________________________ Andrew S. Lipton Ph....
Andrew Lipton
aslipton
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Mar 4, 2009
4:53 pm

Andy Can you send me a Varian shape - then I'll make the varian2shape rightaway. Thomas...
Thomas Vosegaard
vosegaard
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Mar 4, 2009
5:53 pm

Thanks for the quick response and the timely help. -Jayanthi...
Jayanthi S
mssjayanthi
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Mar 5, 2009
2:13 am

Hi all, Can anyone show an example on how to load a shaped pulse? Your help will be greatly appreciated. Eric...
mychemistry2001
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Aug 5, 2009
7:59 pm

Hi, I tried to incorporate the shaped pulse into QCPMG, the resulting spectrum can not be phased properly. Can anyone help me out of this? Thank you very much...
mychemistry2001
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Aug 11, 2009
3:04 pm

HI Eric here you go. cheers Vipin ... From: mychemistry2001 <mychemistry2001@...> Subject: [simpson-simmol] Re: Bruker Shape files To:...
vipin agarwal
vip011
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Aug 6, 2009
12:01 am

Hi Vipin, Thank you very much for your reply. Can you tell me: 1. Is the "brukershape.in" is the file for my shaped pulse? 2. How to use the functions of...
mychemistry2001
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Aug 6, 2009
6:52 pm
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