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NMR Software and Manuals

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BRUKER Software
Academic-Liscence Software

 

Queries and comments are welcome.

 

Last updated May, 2004




 
 
 
 
 

BRUKER Software (Commercial) liscenced to the Wolfson Centre:
 
 
 
Program Online Manual Brief Description
XWINNMR XWINNMR Manual XWIN-NMR is the operating software for our spectrometer. All acquisition and processing is performed using this software. Access to the manual requires free registration, or you can find a hardcopy at the NMR Laboratory
AURELIA AURELIA Manual AURELIA is used for the display, plotting and semi-automated analysis of 2D, 3D and 4D NMR datasets (J. Biomol. NMR, 6, 255-270, 1995). Access to the manual requires free registration, or you can find a hardcopy at the NMR Laboratory
XWIN-PLOT XWIN-PLOT Manual XWIN-PLOT creates printouts of NMR data, including NMR spectra and other NMR-related data. XWIN-PLOT is an easy-to-use, object-oriented tool working on a What You See Is What You Get basis. Access to the manual requires free registration, or you can find a hardcopy at the NMR Laboratory

 
 

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Academic-liscenced Software:
 

PROGRAM Online Manual Brief Description
XPLOR XPLOR Manual X-PLOR is a program system for computational structural biology. X-PLOR explors the conformational space of macromolecules restrained to regions allowed by combinations of empirical energy functions and experimental data.
MOLMOL MolMol Manual MOLMOL is a molecular graphics program for displaying, analyzing, and manipulating the three-dimensional structure of biological macromolecules, with special emphasis on the study of protein or DNA structures determined by NMR.
GRASP Grasp Manual GRASP is a molecular visualization and analysis program. It is particularly useful for displaying and manipulating molecular surfaces electrostatic properties. 
MARDIGRAS Mardigras Manual MARDIGRAS is a program for calculating proton-proton distances and error bounds from cross-peak intensities measured from a 2D 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 SPARKY Manual Sparky displays processed NMR spectra. You can pick, assign, and integrate peaks using a graphical interface. You can work with any number of 2, 3 or 4 dimensional spectra simultaneously. The program has been developed to assist in structure determination of proteins, DNA and RNA.
CORMA Corma Manual CORMA is a program for calculating the dipole-dipole relaxation matrix for a system of protons and converting the matrix to intensities expected for a 2D-NOE experiment.
PROCHECK PROCHECK Manual 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 around a molecular system, using a finite difference solution to the Poisson-Boltzmann equation. It can be used to investigate electrostatic fields in a variety of molecular systems. 
XPLO2D XPLO2D Manual This program performs several utility functions having to do with the input or output of X-PLOR. Used here to add hydrogens to stripped PDB files. 
ISIS (MDL) ISIS Manual ISIS is a chemical drawing program distributed by MDL that produces WINDOWS-compatible figures. 

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Queries and comments are welcome.

Last updated May, 2004

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