OpenScience / Software / Chemistry / Spectroscopy

NMR (5)


Ultrafast Spectroscopy Modelling Toolbox

Posted on June 27, 2014 by Dan Gezelter

User-friendly data analysis for multi-pulse spectroscopy. Matlab-based GUI that helps analyze time-dependent spectroscopic data. Find Ultrafast Spectroscopy Modelling Toolbox at: http://www3.imperial.ac.uk/people/j.vanthor/research/ultrafast_toolbox

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TeraPy

Posted on April 6, 2014 by Dan Gezelter

TeraPy is a graphical user interface for terahertz time-domain spectroscopy and other sequential measurements processes. Find TeraPy at: http://pythonhosted.org/terapy/

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Posted in Condensed Matter, Spectroscopy | Leave a comment

relax

Posted on February 21, 2013 by Dan Gezelter

relax is a program designed for the study study of molecular dynamics of organic molecules, proteins, RNA, DNA, sugars, and other biomolecules through the analysis of experimental NMR data. It supports exponential curve fitting for the calculation of the R1 … Continue reading →

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cuteNMR

Posted on May 19, 2012 by Dan Gezelter

NMR processing software using the Qt framework. Currently only 1D. Find cuteNMR at: http://cutenmr.sourceforge.net/

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rNMR

Posted on May 19, 2012 by Dan Gezelter

rNMR is an open source software package for visualizing and interpreting one and two dimensional NMR data. In contrast to most existing 2D NMR software, rNMR is specifically designed for high-throughput assignment and quantification of small molecules. As a result, … Continue reading →

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JSpecView

Posted on March 11, 2006 by Dan Gezelter

JSpecView is a viewer for spectral data in the JCAMP-DX format. Find JSpecView at: http://jspecview.sourceforge.net/

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PGOPHER

Posted on July 26, 2005 by Dan Gezelter

PGOPHER is a general purpose program for simulating and fitting rotational spectra. PGOPHER will handle linear molecules and symmetric and asymmetric tops, including effects due to unpaired electrons and nuclear spin. The program can handle many sorts of transitions, including … Continue reading →

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NMRShiftDB

Posted on February 6, 2003 by Dan Gezelter

NMRShiftDB is an open-source, open-access, open-submission, open-content web database for chemical structures and their nuclear magnetic resonance data. Find NMRShiftDB at: http://www.nmrshiftdb.org

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GAMMA

Posted on February 26, 2001 by Dan Gezelter

General Approach to Magnetic resonance Mathematical Analysis. Find GAMMA at: http://www.gamma.ethz.ch/index.html

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