Xwin Nmr
Faculty of Science |
NMR Software and Manuals
Win Nmr
8.1 XWIN-NMR 3.1. 8.1.1 Acquisition. Bug 2740: Sometimes after start of gs the acquisition window shows invalid FID, and it may take a few minutes until the correct FID is displayed.This happens reliably using a PC with P3 faster than 700MHz and when td is larger than 20k. PROCESSING-To look at the spectra in detail in XWIN-NMR go to File-Exit ICON-NMR then File-XWIN-NMR. To process go to step 11 in the XWIN-NMR instructions. EJECTING SAMPLE-The easiest way to eject your sample is to open XWIN-NMR by the steps outlined in step 7 and type ej to eject you sample and type ij to insert the standard.
Xwinmart
| Academic-LiscenceSoftware |
Lastupdated May, 2004
BRUKER Software (Commercial) liscenced to the Wolfson Centre:
Win Mri
Winnmark Utah
| Program | Online Manual | Brief Description |
| XWINNMR | XWINNMR Manual | XWIN-NMRis the operating software for our spectrometer. All acquisition andprocessing is performed using this software. Access to the manualrequires free registration, or you can find a hardcopy at the NMR Laboratory. |
| AURELIA | AURELIAManual | AURELIA isused for the display, plotting and semi-automated analysis of 2D, 3D and4D NMR datasets (J. Biomol. NMR, 6, 255-270, 1995). Access to themanual requires free registration, or you can find a hardcopy at the NMR Laboratory. |
| XWIN-PLOT | XWIN-PLOTManual | XWIN-PLOTcreates printouts of NMR data, including NMR spectra and otherNMR-related data. XWIN-PLOT is an easy-to-use, object-oriented toolworking on a What You See Is What You Get basis. Access to the manualrequires free registration, or you can find a hardcopy at the NMR Laboratory. |
Win Nmap
Academic-liscenced Software:
Winnmere Ave Burlington
| PROGRAM | Online Manual | Brief Description |
| XPLOR | XPLOR Manual | X-PLOR is a program system for computational structuralbiology. X-PLOR explors the conformational space of macromoleculesrestrained to regions allowed by combinations of empirical energyfunctions and experimental data. |
| MOLMOL | MolMolManual | MOLMOL is a molecular graphics program for displaying,analyzing, and manipulating the three-dimensional structure ofbiological macromolecules, with special emphasis on the study of proteinor DNA structures determined by NMR. |
| GRASP | Grasp Manual | GRASP is a molecular visualization and analysis program. Itis particularly useful for displaying and manipulating molecularsurfaces electrostatic properties. |
| MARDIGRAS | MardigrasManual | MARDIGRAS is a program for calculating proton-protondistances and error bounds from cross-peak intensities measured from a2D NOESY spectrum. It algorithm converts the intensity matrix(non-observable intensities are supplied from a model) to a relaxation rate matrix, which is improved by an iterative procedure. |
| SPARKY | SPARKYManual | Sparky displays processed NMR spectra. You can pick, assign,and integrate peaks using a graphical interface. You can work with anynumber of 2, 3 or 4 dimensional spectra simultaneously. The program hasbeen developed to assist in structure determination of proteins, DNA and RNA. |
| CORMA | CormaManual | CORMA is a program for calculating the dipole-dipolerelaxation matrix for a system of protons and converting the matrix tointensities expected for a 2D-NOE experiment. |
| PROCHECK | PROCHECKManual | Checks the stereochemical quality of a protein structure,producing a number of PostScript plots analysing its overall and residue-by-residue geometry. |
| DelPhi | DelPhi Manual | DelPhi calculates the electrostatic potential in and arounda molecular system, using a finite difference solution to thePoisson-Boltzmann equation. It can be used to investigate electrostaticfields in a variety of molecular systems. |
| XPLO2D | XPLO2DManual | This program performs several utility functions having to dowith the input or output of X-PLOR. Used here to add hydrogens to stripped PDB files. |
| ISIS (MDL) | ISISManual | ISIS is a chemical drawing program distributed by MDL that produces WINDOWS-compatiblefigures. |
Xwin Media Trans
Lastupdated May, 2004