Software Nuclear Magnetic Resonance Chemistry

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Top: Science: Chemistry: Nuclear_Magnetic_Resonance: Software:

• Top/Science/Chemistry/Software

• - Software: CURVE3D, visualisation of 3D surface. TENSOR, determination of the rotational diffusion tensor
  
• - A large and useful list of NMR software, processing, assignment, and simulation. From University of Potsdam.
  
• - A group offering a software package and method of analysis that puports to give quantitative and qualitative information . Methodology is called qNMR.
  
• - Vizualization of molecules given in some common file formats (includes a conversion option).
  
• - 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.
  
• - A program designed to interconvert a number of file formats currently used in molecular modeling.
  
• - A very large list of NMR software
  
• - C++ library for simulation of Magnetic Resonance experiments.
  
• - 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.
  
• - A few nice Karplus and Pachler calculators. Downloadable
  
• - SPSCAN supports semi-automatic assignment of NMR spectra of biological macromolecules. The program is written in C++ for UNIX computers with X-Window interface.
  
• - MAS_sb_analysis, orientations for powder averaging, chemagnetics pulse programs, mtx, cc2, L-COMPUTE, and MOLECULIX.
  
• - 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/no
  
• - Software developed for NMR at IU
  
• - TALOS Program, NMRPipe, SSIA, and PALES software. Articles with contact information.
  
• - 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.
  
• - 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.
  
• - Documents for Teaching NMR
  
• - From UCSF, nice list, good selection.
  
• - A very easy to use NMR data processing software package.
  
• - Several useful and important packages for NMR, simulation, JCAMP data repair, GETUXNMR, SpecMake and SpecPlot.
  
• - A list of various software packages including: ATNOS, AUTOPSY, GARANT, MOUMOL, RADAR, and XEASY
  
• - A Program for Displaying Protein NOE Data