WINDNMR-Pro (DNMR71.EXE) is a Windows program (Author) for simulating high resolution NMR spectra. It has two main goals:
WinDNMR will simulate the following NMR patterns:
Any of the spectral parameters (chemical shifts, couplings, linewidth,vertical and horizontal expansion, etc) can be easily modified in a variety of ways: by typing in a number; by adding or subtracting increments; or by smoothly moving the number up or down with a spin bar. Spectra are automatically recalculated for a "movie" effect.
"Simulation groups" of up to 15 simulations can be saved and restored for efficient lecture presentation, or for documenting and manipulating a variable temperature DNMR simulation. Simulation data can be copied to and from a spreadsheet program like Excel, allowing sophisticated manipulation of simulation parameters (i.e., creating temperature dependent chemical shifts, nuclei populations or rate constants).
Simulated spectra can be displayed as Lorenzian lines or in stick form (however stick spectra cannot be printed).
Spectra produced with the NUTS spectrum workup program, a TECMAG console, or PCNMR for Windows (J. Chem. Ed.: Software, Special Issue 7, 1994) can be loaded, displayed, and printed. The spectra must have been Fourier transformed by NUTS, PCNMR for Windows or the TECMAG software (WinDNMR cannot work with FID's). The program MestrC can load spectra in a number of formats, and save them as NUTS data files.
Line Shape FittingAny of the simulations can be performed while a spectrum is displayed on the screen for accurate estimation of NMR parameters or DNMR rate constants.
Difference spectra (Spectrum - Simulation) can be displayed (Screen shot). This is useful for accurate Dynamic NMR line shape fitting. For this example the simulations were done with WINDNMR, the stacked plot graphic was created with WinPLT, and the research was published as Amine-Chelated Aryllithium Reagents - Structure and Dynamics, Reich, Goldenberg, Gudmundsson, Sanders, Kulicke, Simon, Guzei J. Am. Chem. Soc. 2001, 123, 8067-8079. PDF
OutputSpectra, simulations and/or difference spectra can be printed on any standard Windows output device. The user can control what appears in the printout.
Spectra, simulation, and/or difference spectra can be copied to the Clipboard as a Windows Metafile (WMF) or Windows bitmap (BMP) for transfer to other programs. The data that appears in the Windows Metafile can be defined by the user in the Print Setup panel. Spectra can also be exported as WMF, EMF, GIF, BMP or EPS files.
Spectra and simulations can be copied to the chemical drawing program PLT Version 7.1 for further processing, labelling with chemical structures and text, producing stacked plots, etc. (AA'BB', DNMR, ABX).
Downloading and installing WINDNMR-Pro for WIN-XP and earlier versionsThis version of WINDNMR-Pro may be distributed freely, but may not be sold.
Download the file DNMR71set.zip with the "Save to disk" option in your WWW browser into a temporary folder, and unzip it. It contains two files, a README.TXT file and DNMR71SETUP.EXE, a self-installing executable. To install WINDNMR on your system double-click on the file DNMR71SETUP.EXE in Windows Explorer and follow the prompts (the installation is completely reversible with UNINSTALL).
DNMRSETUP will do the following:
Downloading and installing WINDNMR-Pro on Windows-7With Windows 7 Microsoft has made changes that no longer allow the standard Windows installation programs to function, Until this problem is resolved, you can install WINDNMR manually as follows (this, of course, will also work for earlier versions of Windows if you prefer a hands-on installation):
Registering WINDNMR-ProSend an email to requesting a password. Please provide your full name and affiliation.
Upgrades and bug fixes will be periodically posted, and can be dowloaded here:
WINDNMR-Pro is Free Shareware.