Dear all, I'm a relatively new SIMPSON user.I have simulate the simple 1pulse spectra with two 1H located at -5p and 3p. But when I change the spin_rate,...
hello, i'm a new simpson user, and i was playing with the optimal control features. i was trying to create a simple coherence transfer from Ix1 to Ix2 on a 3...
Hello, it was decided not to normalize target function. So don't be worried when you get numbers higher than one. And how high the target function can go? In...
thank you very much. yosi ________________________________ From: Zdenek Tosner <tosner@...> To: simpson-simmol@yahoogroups.com Sent: Tuesday, June 9,...
Hello Everyone, I am trying to simulate 1H-15N dipolar lineshape using R18(1,7). I have attached my simpson code at the end. I get the following error message...
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...
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...
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? ...
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...
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...
Hello, I have been trying to use Simpson(Tcl) to read nmrpipe binary file and not succeeded yet. I first remove the header in the nmrpipe file using the...
Hi, You're probably facing the problems with byte-swapping which is one of the challenges in the NMRpipe file format. Or maybe it's just a minor problem... I...
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...
Hello, I've been trying for several weeks to output the SIMPSON 1.12 simulated PISEMA spectrum of example 8, from the original Bak et al. (2000) SIMPSON paper,...
I know I'm not really answering your question, but just a tip: I believe it's better to output the unprocessed fid into NMRpipe format, then process with...
Hi John, It might be nice to have a copy of an nmrpipe script that I know works for sure with SIMPSON simulations. Do you have one that works with the PISEMA...
Hi Tyler When saving simpson data with the -nmrpipe option, you should see output to the terminal that simpson executes bin2pipe with a lot of options....
Hi Tyler, Here's a quick 1D to test the nmrPipe output, and a nmrPipe script to process and view under nmrDraw. I've double-checked, and it works find on my...
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...
Hi John, Thanks. The simulation and script work fine, including display in nmrDraw. I also produced the text file with adjusted units without any trouble. I'm...
I'm still having trouble with the PISEMA simulation so here are the SIMPSON and nmrpipe input files I'm using: spinsys { channels 1H 15N nuclei 1H 15N dipole 1...
Hi Tyler, I don't know if attachments get through the system, but you'll hopefully get it directly anyway -- I've attached an nmrDraw screenshot of what I get...
I'm sorry to hijack this thread, but John, what type of crystal file would you recommend for simulation of an experiment using aligned lipid bilayers if not...
Hi John, I've managed to get PISEMA simulations to work now. However, I end up having to do SIMMOL/SIMPSON simulations on ubuntu and then using Mac OS 10.4...
Interesting! I had run it on my work computer, SuSE 10.something (I think 10.2). I've just spent all morning on it on my home rig, running a fully updated...
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