Software (Nuclear Magnetic Resonance)

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Software available from Malcolm Levitt's group MAS_sb_analysis, orientations for powder averaging, chemagnetics pulse programs, mtx, cc2, L-COMPUTE, and MOLECULIX. http://www.fos.su.se/~mhl/science/software.html 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. http://gaudi.molebio.uni-jena.de/~rwg/spscan/ VINCE A Program for Displaying Protein NOE Data http://www.rowland.org/rnmrtk/vince.html Software by Klaus Eichele Several useful and important packages for NMR, simulation, JCAMP data repair, GETUXNMR, SpecMake and SpecPlot. http://casgm3.anorg.chemie.uni-tuebingen.de/klaus/soft/index.html GAMMA C++ library for simulation of Magnetic Resonance experiments. http://gamma.ethz.ch/ 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. http://www.upb.pitt.edu:89/index.htm Mathcad Documents for Teaching NMR http://science.widener.edu/svb/nmr/mcad_nmr.html Edusoft-NMR software A very large list of NMR software http://www.nmr.embl-heidelberg.de/NMR/PUBSoftware.html Ad Bax Group and NIH TALOS Program, NMRPipe, SSIA, and PALES software. Articles with contact information. http://spin.niddk.nih.gov/bax/software/ Roland Stenutz's Homepage A few nice Karplus and Pachler calculators. Downloadable http://www.kemi.slu.se/~stenutz/ NMR Software list A large and useful list of NMR software, processing, assignment, and simulation. From University of Potsdam. http://www.chem.uni-potsdam.de/linkcenter/nmrsoft.html Babel - A Molecular Structure Information Interchange Hub A program designed to interconvert a number of file formats currently used in molecular modeling. http://smog.com/chem/babel/ 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. http://bmrl.med.uiuc.edu:8080/CookBook.html NMR pipe A very easy to use NMR data processing software package. http://spin.niddk.nih.gov/bax/software/NMRPipe/ 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/no http://www.cmrr.umn.edu/downloads/index.shtml NMR related Software Available From UCSF, nice list, good selection. http://picasso.nmr.ucsf.edu/New/download.html 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. http://www.jonathanpmiller.com/Karplus.html Wuthrich group NMR software A list of various software packages including: ATNOS, AUTOPSY, GARANT, MOUMOL, RADAR, and XEASY http://www.mol.biol.ethz.ch/groups/wuthrich_group/software IBS: LRMN Software Developments Software: CURVE3D, visualisation of 3D surface. TENSOR, determination of the rotational diffusion tensor http://www.ibs.fr/ext/labos/LRMN/softs/welcome.htm IUNMR Software Software developed for NMR at IU http://nmr.chem.indiana.edu/software.html 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. http://www.acdlabs.com/ Model Vizualization of molecules given in some common file formats (includes a conversion option). http://www.jens-meiler.de/model.html

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