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...
Hi Milton, Maybe I've just stepped in it, as I haven't had occasion yet to really think through these simulations. The question was an honest one -- without ...
Hello, Oriented spectra, using appropriate crystal files which take into account a certain error in orientation (mosaic spread) are simulated in the refercne I...
... spectra with two 1H located at -5p and 3p. But ... difference between the two proton. It's a display problem. simplot uses sw parameter to define spectral ...
Hello I'd like to fix the amplitude of a pulse shape element while the pulse is being optimized. I have tried the following: proc main {} { global par rfsh ...
Dear Luke, my first idea how to solve your question is to use "oc_var_save_proc" feature. In fact, your code can not work for two reasons. First, oc_optimize...
Hello all I'm doing some simulations on various quadrupolar nuclei and am interested in extracting the full density matrix at various points in time during a...
Hello All, I recently installed SIMPSON 1.1.2 on a new Linux machine (CentOS 5.3 64 bit). Everything runs fine except MINUIT optimization. I get the following...
Hi all, Simulating a spinning deuteron spectrum seems to require a large number of powder points-- if I use another simulation engine that uses ZCW alpha,...
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