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Chemical shift (J) to Dihedral angle converter
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This is a web-based program that converts the chemical shift from NMR spectra to the dihedral (torsional) angle to assist in molecular modelling which uses the Karplus equations to perform the calculations.
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HMMER
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Sequence analysis using profile hidden Markov models. Useul for Proteins.
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Software packages developed at the CMRR
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Stimulate - multifunctional image analysis tool, PhysioFix - adjust for respiration and cardio effects, PhysioFix for Matlab, Cluster_prob - clustered pixel probability, Sarcalc - energy used by your pulse sequence, MTM - Multi-Taper Methods for signal/noise analysis, FAST MAP - magnet shimming tool, NMR Kitchen - software based on product operator calculation
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4. |
Ad Bax Group and NIH
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TALOS Program, NMRPipe, SSIA, and PALES software. Articles with contact information.
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Advanced Chemistry Development
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Provides a wide set of desktop and on-line software for chemists and educators: NMR, IR, UV, MS, drawing and modelling, chromatography, naming, comprehensive databases and predictions.
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Babel - A Molecular Structure Information Interchange Hub
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A program designed to interconvert a number of file formats currently used in molecular modeling.
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7. |
Compilation of Educational NMR Software
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Version 1.6.2beta, compiled and gathered by Peter Lundberg.
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8. |
Dmfit and EditNMR Programs
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The Dmfit programs enables fitting of solid state (and liquid) NMR spectra, including 1D and 2D datasets. Edit NMR program : file Viewer for NMR files.
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GAMMA
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C++ library for simulation of Magnetic Resonance experiments.
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IBS: LRMN Software Developments
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Software: CURVE3D, visualisation of 3D surface. TENSOR, determination of the rotational diffusion tensor
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11. |
IUNMR Software
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Software developed for NMR at IU
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12. |
Mathcad
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Documents for Teaching NMR
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13. |
NMR pipe
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A very easy to use NMR data processing software package.
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14. |
NMR Software list
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A large and useful list of NMR software, processing, assignment, and simulation. From University of Potsdam.
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15. |
NMR Tutorial
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A free downloadable nmr tutorial. Software contains proton and C-13 shifts for over 100 compounds in database with room for notes and user-interactive 3D structures.
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16. |
Quantitative NMR
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A group offering a software package and method of analysis that puports to give quantitative and qualitative information . Methodology is called qNMR.
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17. |
Roland Stenutz's Homepage
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A few nice Karplus and Pachler calculators. Downloadable
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18. |
Software by Klaus Eichele
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Several useful and important packages for NMR, simulation, JCAMP data repair, GETUXNMR, SpecMake and SpecPlot.
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19. |
SPSCAN
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SPSCAN supports semi-automatic assignment of NMR spectra of biological macromolecules. The program is written in C++ for UNIX computers with X-Window interface.
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20. |
VINCE
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A Program for Displaying Protein NOE Data
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21. |
Wuthrich group NMR software
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A list of various software packages including: ATNOS, AUTOPSY, GARANT, MOUMOL, RADAR, and XEASY
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