Xwin Nmr

Hi, I wanna Brukers TopSpin/XWIN-NMR to log the start and end times of every experiment. With this information I can. Posted: oxy 31 Aug 28 '19 at 01:42. XWIN-NMR 3.5, define a new dataset (edc), select a parameter set for proton experiment (rpar PROTON all) and get all probehead and solvent dependent parameters (getprosol). Insert your sample into the magnet. Standard sample used for shimming: 10% CHCl3 in acetone-d6 on DPX 200. 3% CHCl3 in acetone-d6 on DPX 300. 1% CHCl3 in acetone-d6 on.

Faculty of Science

NMR Software and Manuals

Xwin Nmr


BRUKER Software
Academic-LiscenceSoftware
Xwin
Lastupdated May, 2004
BRUKER Software (Commercial) liscenced to the Wolfson Centre:
ProgramOnline ManualBrief Description
XWINNMRXWINNMR ManualXWIN-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.
AURELIAAURELIAManualAURELIA 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-PLOTXWIN-PLOTManualXWIN-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.

Xwin Nmr Free Download

Academic-liscenced Software:

Winnmark Utah

PROGRAMOnline ManualBrief Description
XPLORXPLOR ManualX-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.
MOLMOLMolMolManualMOLMOL 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.
GRASPGrasp ManualGRASP is a molecular visualization and analysis program. Itis particularly useful for displaying and manipulating molecularsurfaces electrostatic properties.
MARDIGRASMardigrasManualMARDIGRAS 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.
SPARKYSPARKYManualSparky 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.
CORMACormaManualCORMA 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.
PROCHECKPROCHECKManualChecks the stereochemical quality of a protein structure,producing a number of PostScript plots analysing its overall and residue-by-residue geometry.
DelPhiDelPhi ManualDelPhi 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.
XPLO2DXPLO2DManualThis 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)ISISManualISIS is a chemical drawing program distributed by MDL that produces WINDOWS-compatiblefigures.

Xwinmart

Lastupdated May, 2004