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Top 20 Directory:
Top : Science : Chemistry : Nuclear_Magnetic_Resonance : Software
  • Assignment Software
  • Prediction Software
  • Processing Software
  • Simulation Software
  • Spectrometer Operation
  • Structure Calculation Software

    See Also:

    Sites:
  • Ad Bax Group and NIH: TALOS Program, NMRPipe, SSIA, and PALES software. Articles with contact information.
  • Advanced Chemistry Development: 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.
  • Babel - A Molecular Structure Information Interchange Hub: A program designed to interconvert a number of file formats currently used in molecular modeling.
  • Chemical shift (J) to Dihedral angle converter: 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.
  • Compilation of Educational NMR Software: Version 1.6.2beta, compiled and gathered by Peter Lundberg.
  • Dmfit and EditNMR Programs: 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.
  • GAMMA: C++ library for simulation of Magnetic Resonance experiments.
  • HMMER: Sequence analysis using profile hidden Markov models. Useul for Proteins.
  • IBS: LRMN Software Developments: Software: CURVE3D, visualisation of 3D surface. TENSOR, determination of the rotational diffusion tensor
  • IUNMR Software: Software developed for NMR at IU
  • Mathcad: Documents for Teaching NMR
  • NMR pipe: A very easy to use NMR data processing software package.
  • NMR Software list: A large and useful list of NMR software, processing, assignment, and simulation. From University of Potsdam.
  • NMR Tutorial: 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.
  • Quantitative NMR: A group offering a software package and method of analysis that puports to give quantitative and qualitative information . Methodology is called qNMR.
  • Roland Stenutz's Homepage: A few nice Karplus and Pachler calculators. Downloadable
  • Software by Klaus Eichele: Several useful and important packages for NMR, simulation, JCAMP data repair, GETUXNMR, SpecMake and SpecPlot.
  • Software packages developed at the CMRR: 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
  • SPSCAN: SPSCAN supports semi-automatic assignment of NMR spectra of biological macromolecules. The program is written in C++ for UNIX computers with X-Window interface.
  • Viewit Cookbook: Viewit is a NMR viewing and NMR date processing software package with many capabilities. This is the on-line software manual. with many very simple and elegant solution to processing problems.
  • VINCE: A Program for Displaying Protein NOE Data
  • Wuthrich group NMR software: A list of various software packages including: ATNOS, AUTOPSY, GARANT, MOUMOL, RADAR, and XEASY


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