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Websites
A very large list of NMR software
http://www.nmr.embl-heidelberg.de/NMR/PUBSoftware.html
A few nice Karplus and Pachler calculators. Downloadable
http://www.kemi.slu.se/~stenutz/
Documents for Teaching NMR
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Mathcad Documents for Teaching NMR Mathcad documents were originally prepared during the NMR Concepts workshops at the University of Rhode Island, July 1995. They were refined for teaching advanced spectroscopy. These documents introduce many of the major concepts in NMR data acquisition and data processing....Software developed for NMR at IU
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IUNMR Software Reservation system through the internet Unauthorized users should see the DEMO of Mag Res page. Authorized users should see the official Mag Res page. This reservation system for UNIX-based NMR spectrometers is used to: view the daily schedule for one...A program designed to interconvert a number of file formats currently used in molecular modeling.
http://smog.com/chem/babel/
A Program for Displaying Protein NOE Data
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Vince A Program for Displaying Protein NOE Data Development of this program was supported by the Rowland Institute for Science and by the National Institutes of Health (GM-47467) Thanks to John Choi, Peter Connolly, Youcef Fezoui, Angela Gronenborn, and Wujing Xian. We thank Sebastian Clore-Gronenborn for suggesting the...TALOS Program, NMRPipe, SSIA, and PALES software. Articles with contact information.
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Ad Bax Group NIH Page for additional information on software including NMRPipe, NMRDraw, NMRWish, TALOS, DYNAMO, and ACME. Program Short description Contact Reference NMRPipe Multidimensional spectral processing of NMR data Frank Delaglio J. Biomol. NMR. 6, 277 (1995) HTML Version (1.5 MB) TALOS Prediction...Vizualization of molecules given in some common file formats (includes a conversion option).
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Model The program offers a the possibility of visualizing structures given in several common file formats. Beside some rendering options geometry parameters can be extracted and the molecules can be saved in other file formats....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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Chem Tutor Tutorial free downloadable program) Free downloadable tutorial software developed by D. S. Soriano and students Chemistry Department University of Pittsburgh-Bradford Bradford Pa U.S.A. The Chem Tutor software can be used by students wishing to gain some experience in predicting proton...From UCSF, nice list, good selection.
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UCSF NMR Lab C program to calculate angular order parameters (proteins only) download a C program to calculate the number of restraints per residue (from mardigras output) CHIRANO a program to check chirality of nucleic acids...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
Several useful and important packages for NMR, simulation, JCAMP data repair, GETUXNMR, SpecMake and SpecPlot.
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Software Klaus Eichele Your browser does not support frames! Please select content!...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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Advanced Chemistry Development Homepage From desktops to worldwide corporate installations, our scientific software has advanced chemical research in over 800 academic, chemical, and pharmaceutical organizations. Latest News Press Releases October 26, 2005 Companies Announce Intention to Integrate ACD/Labs PhysChem and Nomenclature Software and Klee's...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/
Software: CURVE3D, visualisation of 3D surface. TENSOR, determination of the rotational diffusion tensor
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IBS: LRMN Software Developments D is a graphic program which allows the visualisation of 3D surfaces. The displayed surface may be rotated, translated, zoomed, z-clipped. Display in the form of grid, polygons; colors management simulated lighting, color proportionnal to z or code value Postscript...A large and useful list of NMR software, processing, assignment, and simulation. From University of Potsdam.
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Chemistry Linkcenter: NMR Softwarelist you will be automatically redirected or you can click here!...C++ library for simulation of Magnetic Resonance experiments.
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GAMMA C library expressly for simulation of Magnetic Resonance experiments. It was written by Scott A. Smith and Tilo Levante under the guideance of B.H. Meier and R.R. Ernst at the ETH in Zrich, as described in the article Computer Simulations...A very easy to use NMR data processing software package.
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NMRPipe Home Page Send email noting your name, lab address and software interests to Frank Delaglio at delaglio@nih.gov for a friendly personal response, or in some cases simply a semi-automated but still friendly reply with download information and installation instructions. When you write,...A list of various software packages including: ATNOS, AUTOPSY, GARANT, MOUMOL, RADAR, and XEASY
http://www.mol.biol.ethz.ch/groups/wuthrich_group/software
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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U of M:CMRR:Downloads. Software packages developed at the CMRR that you may find useful in your own MR research: Stimulate multifunctional image analysis tool PhysioFix User's Guide adjust for respiration and cardio effects PhysioFix for Matlab Cluster probability clustered pixel probability Sarcalc energy...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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(H-J-J-H) Coupling Constant to Dihedral Angle Converter Coupling is mediated by the interaction of orbitals within the bonding framework. It is therefore dependent upon overlap, and hence upon dihedral angle. The relationship between the dihedral angle and the vicinal coupling constant 3J (as observed from 1H NMR...A group offering a software package and method of analysis that puports to give quantitative and qualitative information . Methodology is called qNMR.
http://qnmr.org/
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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NMR programs R programs arrival of the 750 Windows (Linux with wine) NMR program page Download dmfit or EditNMR programs new version can read in Tecmag tnt format) and Chemagnetics files (with remaining problems of referencing tell me if you have exempes)...