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simpson-simmol · The SIMPSON - SIMMOL Discussion Forum

Group Information

  • Members: 304
  • Category: Chemistry
  • Founded: Dec 10, 2001
  • Language: English
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Description

SIMPSON and SIMMOL are software packages for simulation of multi-spin and multi-dimensional NMR experiments and for specification and visualization of anisotropic spin interactions in biomolecular NMR.

This SIMPSON - SIMMOL Discussion Forum is the place where users can exchange ideas, ask questions, and where information on new releases of SIMPSON and SIMMOL will be provided.

(I have changed the membership policy from open to restricted such that new members should be approved before posting emails. This is to prevent the increasing amount of spam mails that have been posted in the group recently.

To become a member you just have to sign in and explain very briefly your interest in NMR and SIMPSON/SIMMOL... I hope this will prevent new spam members from signing in.)

Most Recent Messages

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2D Hetcor
Hi everyone, I'm trying to simulate a 2D Heteronuclear Correlation sequence found in this paper: R. Fu et al 2007, Journal Magnetic Resonance 118 41-48. I'm
Posted - Tue Jul 7, 2009 5:44 pm
miltont98
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Re: command to generate csa grid
Hi You can call fsimpson with a list of commands, e.g., set f [fsimpson [list [list shift_1_aniso $csa] [list shift_1_eta $eta]]] and then make two loops over
Posted - Fri Jun 26, 2009 3:59 pm
Thomas Vosegaard
vosegaard
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command to generate csa grid
Hi Everyone, I want to generate a two-dimensional grid of CSA lineshapes with delta and eta. Is it possible to do that with SIMPSON? What is the command?
Posted - Fri Jun 26, 2009 3:42 pm
sivaphy
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Re: problem with simulating R18(1, 7) HN dipolar lineshape
Hi, Thanks for your response. The following code seems to be working. ... proc pulseq {} { global par maxdt 2.5 set t180 [expr 0.0555e6/$par(spin_rate)] set
Posted - Thu Jun 25, 2009 3:45 pm
sivaphy
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Re: problem with simulating R18(1, 7) HN dipolar lineshape
Looks to me like it's just a logic problem. Your code skips the if {} when t1=1, so your first propogator 4 is null, but gets time indexed for the beginning of
Posted - Sat Jun 20, 2009 1:36 am
John Gehman
ichsprecheda...
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Message History

Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec
2009 6 11 1 10 1
2008 2 6 4 3 1 4 6 4 1 1
2007 15 40 38 34 12 1 2 2 13 9
2006 12 8 13 5 1 4 19 12 16 4 4
2005 17 11 13 2 1 6 23 14 28 6 3 2
2004 7 1 9 14 1 16 22 12 5 12 11 7
2003 15 12 13 1 8 14 4 6 8 1
2002 35 12 23 13 14 22 4 14 26 7 20 5
2001 9
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