Added: January 25, 2010 | Visits: 483
Interface to perform advanced searches based on Spotlight. Geared to NMR spectra and chemical files. A query can consist in a single condition or in multiple ones. Source code available.
Platforms: Mac
Added: April 27, 2013 | Visits: 381
The icoshift tool for Matlab is an open source and highly efficient program specifically designed for solving signal alignment problems in metabonomic NMR data analysis, but it can also properly deal with other spectra-like datasets (e.g. data from other spectroscopic methods or chromatographic...
Platforms: Matlab
Added: July 08, 2010 | Visits: 885
nmr-relax is designed for the study of the dynamics of proteins or other macromolecules though the analysis of NMR relaxation data. It is a community driven project created by NMR spectroscopists for NMR spectroscopists. It supports exponential curve fitting for the calculation of the R1 and R2...
Platforms: *nix
Released: January 09, 2013
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Added: January 09, 2013 | Visits: 842
Spectra Hardware Information Tool provide useful information about your computer hardware this include processor manufacturer, caption, name, role and max. Clock speed and harddisk serial, model and type
Platforms: Windows
Released: October 13, 2012
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Added: October 13, 2012 | Visits: 470
MatNMR is a highly flexible toolbox for processing 1D and 2D NMR/EPR spectra in MATLAB and creating high-quality 1D, 2D or 3D plots. Fully GUI and/or script-based.
Platforms: Windows, Mac, Linux
Released: October 23, 2012
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Added: October 23, 2012 | Visits: 473
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.
Platforms: Windows, Mac, Linux
Added: May 06, 2013 | Visits: 822
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...
Platforms: Matlab
Added: April 12, 2013 | Visits: 540
Returns NMR properties of the isotopesEXAMPLEH = 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....
Platforms: Matlab
Added: April 08, 2013 | Visits: 447
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...
Platforms: Matlab
Released: July 08, 2012
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Added: July 08, 2012 | Visits: 461
LipidXplorer is an unique application specially built in order to identify lipids from high to low resolution mass spectra.
Now you can use this accessible Open Source software to help you with your research.
Platforms: Windows
Added: July 08, 2013 | Visits: 441
Covariance NMR toolbox, version 1.1 (C) (2010)David A. Snyder(1) along with Timothy Short(1), Leigh Alzapiedi(1) and Rafael Bruschweiler (2)(1) Department of Chemistry, College of Science and Health, William Paterson University; (2) Department of Chemistry and NHMFL, Florida State UniversityThe...
Platforms: Matlab
Added: June 03, 2013 | Visits: 424
Speech analysis and parameter extractionShort-term analysis, frames and windowsTime-domain analysis: energy, zero-crossings, statistic parameters, autocorrelationFrequency-domain analysis: spectra and spectrogramsCepstral analysisLinear prediction analysisPitch and formant estimationto run the...
Platforms: Matlab
Released: October 16, 2012
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Added: October 16, 2012 | Visits: 389
The package generates a feature table from a batch of LC/MS spectra in .cdf format.
Instructions: http://www.sph.emory.edu/apLCMS/
References
Bioinformatics. 25(15):1930-36.
BMC Bioinformatics. 11:559.
Platforms: Windows, Mac, BSD
Released: October 23, 2012
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Added: October 23, 2012 | Visits: 252
cnsFace is a GUI for the Crystallography and NMR System.
Platforms: Windows, Mac, Linux
Released: June 24, 2012
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Added: June 24, 2012 | Visits: 427
GaussSum parses the output of ADF, GAMESS, GAMESS-UK, and Gaussian to extract useful information: progress of geometry optimisation, UV/IR/Raman spectra, MO contributions and more.
Platforms: Windows, Mac, BSD, Linux
Released: August 21, 2012
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Added: August 21, 2012 | Visits: 272
Janocchio is an application or applet for viewing 3D molecular structures and calculating NMR couplings and NOEs
Platforms: Windows, Mac, Linux
Released: August 18, 2012
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Added: August 18, 2012 | Visits: 356
jVisualizer is a graphical tool to visualize and analyse first-order coppling patterns found in NMR-spectroscopy; additional you can type in chemical shifts from an experiment to calculate coupling constants
Platforms: Windows, Mac, Linux
Released: December 06, 2012
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Added: December 06, 2012 | Visits: 355
LutefiskXP is ANSI C compliant software used to perform de novo peptide sequencing from tandem mass spectra.
Platforms: Windows, Mac, Solaris
Released: August 12, 2012
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Added: August 12, 2012 | Visits: 274
Manuelito is a Java tool for decrypting posttranslational modification (PTM) patterns of proteins based on MALDI mass spectrometry spectra. It was built for analysing the 'histone code' but it can be applied to any other highly modified protein.
Platforms: Windows, Mac, Linux
Released: September 08, 2012
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Added: September 08, 2012 | Visits: 685
peak-o-mat is a curve fitting program aimed at the fast and easy fitting of spectroscopic data, especially if you face a large amount of similar spectra.
Platforms: Windows, Mac, Linux
Windows Software
Albina Merfyn - I find this to be really easy to use. I can...
