Posts

Role Reversal

In the beginning computers were computational tools with no graphic interface. From the user's point of view CW-NMR and FT-NMR were equivalent, because both of them plotted the results on paper and the analysis only began after printing. People ignored that FT spectrometers contained a computer and a program. Things changed with the structural determinations of biopolymers by W�thrich and others. The 80s were a period of economical growth, protein NMR was a promising new field, Bill Gates was becoming the richest man in the world with his software company, so combining NMR with software was a risky but potentially lucrative investment. There was money and there were people looking for it. Not forgetting that you really needed a good software to process 2-D NMR. The first generation of stand-alone NMR software (separated from a spectrometer) was written with biopolymers in mind: Felix, Triad, etc� In the 90s personal computers became moderately fast and were finally able to complet...

Passing of Time

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In 2005 David Martineau drew the iNMR palette. In 2011 Pascal Fricke has drawn it again.

Spinach

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A picture can be worth a thousands words. You can find many interesting and self-explanatory pictures here: http://spindynamics.org/Spinach-examples.php In a nutshell: Spinach is not a program, but an open source library; it's something for programmers, not for end users. The language is, once again, Matlab. When the language is Matlab, usually that the programmer and the end user are the same person. The purpose of Spinach is, once again, to simulate NMR experiments and spectra, of all kinds. With this latest arrival, I am even more convinced that the vast majority of NMR software belongs to the class of simulation software. The mole of published material (in the sense that you can find an article in literature) is inversely proportional to the number of users. It is a fascinating field nonetheless. You can freely download Spinach and read it. Installing it is a different story.

Winrar Full registred

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Select A Version From Official Site & Download Download Registaion File Only

Screencast #1

This is my first screencast. It is a true waste of bandwidth and nothing else. I made it in high definition and added a beautiful soundtrack, but Blogger (the host of my blog) has decided to spoil it. The visual effect you see in the movie is necessary: when you duplicate a page, the new page is identical to the old one. Without an animated effect it would be hard to understand if the command was executed or not. What was not necessary was the movie itself...

Changes

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After many happy experiments in the field of manual phase correction, after many years and many different solutions, this is what I like now, the perfect phase correction module for 2012: At first it is confusing, because of the so many controls and because of its asymmetry. The two important elements are the circular slider for the zero-order phase correction and the long vertical slider for first-order correction. This module works in connection with a pivot marker, which can be either horizontal or vertical. Some people don't understand the idea behind the pivot marker. It is not a third parameter. It's simply an interface element which frees the user from the task of adjusting the zero-order correction. Without the pivot, the correction is a two-parameter optimization (iterative, non intuitive and tedious). With the pivot, it becomes a single parameter optimization (intuitive, natural, easy and instantaneous). This new module is so thin, that it let you see the whole spectr...

nmrglue

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NMR glue is based on the same libraries on which VeSPA is built. The installation of nmrglue is similar. Different is the result. After the installation is complete, there is no icon to click. The instructions say nothing about what to do after installation. While the purpose of the program is clearly described , I can't add anything of my own, because I can't use it. The program is somewhere on my computer, but I don't know how to launch it. Who feels the need of another NMR program? I still haven't found the answer to the question: "Who felt the need of inventing Python?".