OpenScience / Software / Chemistry / Spectroscopy

NMR (5)


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PGOPHER

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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Rating: 4.3. From 24 votes.
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Posted in Spectroscopy | Leave a comment

GAMMA

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

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Rating: 4.3. From 6 votes.
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NMRShiftDB

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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Rating: 4.0. From 18 votes.
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JSpecView

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

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Rating: 3.3. From 20 votes.
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Ultrafast Spectroscopy Modelling Toolbox

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

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

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

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

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rNMR

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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