Software (80)
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 Prediction Software (10) Processing Software (17) |
 Linux4Chemistry   - Linux software for chemistry: molecular modeling, visualization, graphics, quantum mechanics, dynamics, kinetics, simulations, NMR Structure elucidation. - http://www.redbrick.dcu.ie/~noel/linux4chemistry/    NMR software - CALM is a DOS-based program for iterative analysis of high resolution NMR-spectra. And Coder 7 is a universal multi format NMR data converter. Handles both FIDs and spectra. - http://nmrl.ioc.ac.ru/software.htm Quantitative NMR - A group offering a software package and method of analysis that puports to give quantitative and qualitative information . Methodology is called qNMR. - http://tigger.uic.edu/~gfp/qnmr/ 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://www.personal.uni-jena.de/~b1glra/spscan/manual/ HMMER - Sequence analysis using profile hidden Markov models. Useul for Proteins. - http://hmmer.wustl.edu/ 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. - http://crmht-europe.cnrs-orleans.fr/dmfit/ 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 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 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 NMR pipe - A very easy to use NMR data processing software package. - http://spin.niddk.nih.gov/bax/software/NMRPipe/ 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 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 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/ 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 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 Ad Bax Group and NIH - TALOS Program, NMRPipe, SSIA, and PALES software. Articles with contact information. - http://spin.niddk.nih.gov/bax/software/ 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/ Roland Stenutz's Homepage - A few nice Karplus and Pachler calculators. Downloadable - http://www.kemi.slu.se/~stenutz/ |
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