gNMR

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On: 2017-04-27 05:24:30
Updated by: that-ben
On: 2017-04-27 13:17:14
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What is gNMR?

The most important new addition in V3.6 is the use of molecular structures for data entry. gNMR will now import structure files from a number of chemistry drawing packages, and let you enter data by clicking on atoms of the structure. There is a primitive shift-prediction facility for 1H, 13C and 31P shifts.

Menu shortcuts have been made more consistent with the Macintosh standard and between gNMR and gSPG. We apologize for the inconvenience caused by changing any combinations you had finally gotten used to!

The layout of large dialog boxes has changed. The boxes now contain a list of topics on the left, indicated by icons and text. Choosing one of the topics brings up the corresponding sub-dialog. Selecting OK or Cancel dismisses the WHOLE dialog, not just the subtopic.

If you were annoyed by the appearance of the File/New dialog for every new file you created: go to File/Preferences, and (in the "General" subtopic) uncheck "Start with dialog".

New in the user interface is a button bar showing equivalents of the most common menu choices.

A few new menu choices make expanding and shrinking of spectra much easier and faster. Also, you can now "link" the size of a spectrum with the size of its surrounding window (Plot/Resize with window), so that for example a zoom results in a full-screen spectrum.

If you check Highlist Assignment in the Iterate/Options dialog, any peak being assigned (with the mouse or numerically) will now be highlighted in a different colour in any open Plot windows.

gNMR now has an abort button (in the status window), which can be used to interrupt time-consuming operations. This is still experimental, and gNMR sometimes becomes unstable when you click this button, so we suggest that you leave the program as soon as possible after aborting an operation in this way.


Download gNMR for Mac

gNMR_folder.sit (888.16 KB)
3 / 2017-04-27 / 330327ba1f228b75e0a35b86354b87a8ac911769


Compatibility notes

gNMR (formerly geNMR) comes with an installer. To install the package, insert the disk labeled "Disk 1 (Install)" and click on the "Install gNMR•V3.6" icon. On most systems, choosing "Easy Install" should work satisfactorily: this will install the package into the folder "gNMR folder", overwriting any previous version present there. If you want to select parts of the package for installation, choose "Custom Install". Please remember to install either the FPU or the non-FPU program files, else you never know which program you are actually using! (see section 2.3 of the manual for details). Use the FPU version programs on Macintoshes equipped with an MC68881 or 68882 numeric coprocessor or with an MC68040 or higher CPU, and the non-FPU version on all other Macintoshes (including PowerMacs). The non-FPU version is slow!

If you have a "small" Macintosh, you might want to omit copying the "gNMR V3.6 Groups Database" file. Leaving out this file will prevent the use of symmetry by gNMR, but significantly speeds up program initialization. Since symmetry usage only pays off for fairly large systems, and you will not simulate those on a "small" Macintosh anyway, preventing symmetry usage is no big loss.


Emulating this? It should run fine under: Basilisk II




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