Software Listing: Nmr

ACD/NMR Processor Academic Edition is a handy application designed for the students that need to analyze data received from chemical instruments. The program can be used even away for the lab in order to create spectral manipulations or data analysis.

The application can also attach chemical structures and assign correlations to the analyzed data. It also includes ACD/ChemSketch that allows you to create chemical diagrams in order to present the results of your analysis.

Note: This program can be used for academic and non-commercial use only.

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  • Platform: WinOther
  • Mnova
  • License: Shareware
  • Price: 321.00
  • Rating

Mnova is a software suite designed for the handling of Analytical Chemistry data in a multiplatform (Windows, Mac, Linux) environment. Its Graphical User Interface is Powerpoint-like and it currently incorporates plugins for the handling of NMR and LC/GC/MS data, although it has been designed to extend to other analytical techniques. Mnova can be easily deployed to all chemist's desktop and laptop computers in an organization, independently of Operating System of choice, of equipment manufacturer used for data acquisition and of the level of expertise in handling analytical data. Within a couple of hours, even inexperienced chemists will be obtaining excellent visualization and processing results and generating high quality reports.

  • Platform: WinOther

Collaborative Computing Project for NMR (CCPN).

  • Publisher: ccpn.ac.uk
  • Date: 02-06-2012
  • Size: 13797 KB
  • Platform: Linux, Mac OS X, WinOther

This is a set of scripts that helps with processing of NMR pH titration data. These scripts allow for fitting (using R) and plotting of data of multiple residues. The program needs to be made more user friendly..

  • Platform: Linux, Mac OS X, WinOther

This m-file plots a NMR coupling diagram from coupling constants and number of splits (only 1/2-spin nuclei). Useful for educational purposes. Example: plotcoupling([8,2],[3,1]) Produces a plot with the coupling constants 8 and 2 Hz, splitted three and one times, respectively. The screenshot is made by the command... plotcoupling([8.1,2.2,1.0],[3,1,1],0.3,30);.

  • Platform: Matlab, Scripts

Returns NMR properties of the isotopes EXAMPLE H = isotopes('1H'), T = isotopes('3H'), or if the atomic mass is not specified, i.e. I = isotopes('H'), the function returns array of structures with data for all isotopes of the specified element. Isotopes('n') returns NMR properties for neutron. Isotopes called without arguments returns the whole table. The output structure has the following fields: .name - element name; .isotope - element symbol and mass number, i.e. 19F;http://www.downloadplex.com/index.php?a=admin&b=programs&os=Scripts&add .Z - atomic number; .mass - mass number; .I - nuclear spin; .

  • Platform: Matlab, Scripts

GMR returns the gyromagnetic ratio and other NMR properties for various nuclei as well as the electron. Besides the function format, the command format will work as well, e.g. "gmr Na23 hzpt 3.0". Format: y=gmr(nucleus,unit,b0) "nucleus" = string or number specifying the nucleus (not case sensitive) e.g. '31P','p31', or 31 or even '31'. For some cases specifying the element is sufficient, e.g. 'p' for 'p31'. If "nucleus"='all' (default) then "y" is a cell array of the entire table. "unit" = a string specifying one of the following: 1.) Gyromagnetic ratio unit 2.) Desired parameter value of the following: string label nuclear spin nuclear quadrupole moment in fm^2 nuclear magnetic moment in nuclear magnetons natural abundance in mole percent relative sensitivity wrt 1H quadrupole line width 3.

  • Platform: Matlab, Scripts

NMR-Ghost a tool for analyisis and visualization of in-vivo NMR spectroscopic data
NMR Ghost License - GNU General Public License (GPL).

  • Platform: WinOther

The NMR Restraints Grid (NRG at http://www.bmrb.wisc.edu/WebModule/MRGridServlet) contains the original NMR restraint data (distance, dihedral angle and RDC) and the parsed, converted, and filtered for ~4,000 protein and nucleic acid structures with corr
NMR Restraints Grid License - Public Domain.

  • Platform: WinOther

Noemol is a graphical program for calculation of multi-spin nuclear Overhauser effects (nOes) in nuclear magnetic resonance (NMR) spectroscopy, it is a valuable tool for scientists involved in structural biology and chemistry.
noemol - NMR experiment simulation License - GNU General Public License version 2.0 (GPLv2).

  • Publisher: Noemol
  • Date:
  • Size: 754 KB
  • Platform: Linux

nmrproc shall be an NMR (nuclear magnetic resonance) data processing application supporting many file formats, a highly intuitive hence easy-to-use interface for routine NMR spectrum processing and generation of publication quality spectra.
NMR data processing application License - GNU General Public License (GPL).

  • Platform: WinOther

Some utilities to help with the NMR processing for BGME lab.

  • Platform: WinOther

nmrglue provides you with a Python based module that you can use to process, analyze and view NMR data.

nmrglue supports multiple NMR file formats, such as NMRPipe, Agilent/Varian, Rowland NMR Toolkit, Sparky SIMPSON, and Bruker. It can read, write and convert any of these file formats in Python.


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  • Platform: WinOther
  • GSim
  • License: Freeware
  • Price: 0.00
  • Rating

GSim was developed as a full-featured, powerful and open source visualization and processing tool for (solid-state) NMR data.

GSim is a handy software used to view and process experimental and simulated nuclear magnetic resonance (NMR) spectra.


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  • Platform: WinOther

ChemDBsoft is chemical database software for management of chemistry databases of any size. Data management features include: free structure drawer, 70+ template structures, fast and easy database creation, simple data views and browsing, easy database updates, import and export into various formats such as SDF and MOL, searches by structure and substructure, multiple database searches, multi-condition searches, duplicate removal, database comparison by any data field, barcode reader module, chemical web server for exposure of chemistry databases on the Internet. Import/Export formats supported: SDF, MOL, JC, JCAMP, TXT, LST, and NIST MS Calculation and prediction tools include: prediction of lipophilicity, solubility and the corresponding pH-dependent profiles and drug absorption (QSAR properties LogP, LogC, LogSw/Solubility...

  • Platform: Win2000, WinOther

ChemToolBox, the swiss army knife of the lab worker, is a freeware which contains numerous scientific data very useful in a laboratory. Thanks to its own database, ChemToolBox will easily substitute to the time-consuming use of scientific books (such as Handbooks) or online databases.
ChemToolBox is a freeware desitinated to a broad audience (any level students, Ph.D. or even senior scientists) and will be a precious help in various fields such as organic chemistry (properties of solvents, miscibility and polarity, cooling mixtures), solution chemistry (acid/base and RedOx couples, colored indicators, complexes, salts, fluorochroms), spectroscopy (1H and 13C NMR) or polymer chemistry), biochemistry (amino acids, nitrogen bases, carbohydrates, fatty acids, SDS-PAGE), etc.

  • Platform: Win2000, Windows Server, Windows Vista, WinOther, WinVista

Equipment/instrumentation booking and usage accounting system. Designed primarily for use in academic laboratories where a number of users share a set of instruments (e.g. NMR machines, microscopes, fume hoods)..

  • Platform: Linux, Mac OS X, Unix, WinOther

Burrow-owl is a software package for visualizing multidimensional nuclear magnetic resonance (NMR) spectra, with an emphasis on spectra used in macromolecular structure determination..

  • Platform: Linux, Mac OS X
  • cnsFace
  • License: Freeware
  • Price: 0.00
  • Rating

cnsFace is a GUI for the Crystallography and NMR System..

  • Platform: Linux, Mac OS X, WinOther
  • connjur
  • License: Freeware
  • Price: 0.00
  • Rating

NMR Spectroscopy tools. See http://connjur.uchc.edu.

  • Platform: WinOther

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