Nmr Lipoprofile

CHEMIX School is an educational tool for learning chemistry. It is geared toward college-level chemistry, but is also appropriate for high-school students, chemists, and teachers. It is equipped with a periodic table containing physical properties for all stable isotopes including more than 2500...

ChemDBsoft is chemical database software for management of databases of any size. Includes: free structure drawer, simple data views, searches by structure and substructure, multiple database searches, SDF import/export, duplicate removal, database comparison, chemical web server. Calculation and...

CHEMIX School is an educational tool for learning chemistry. It is geared toward college-level chemistry, but is also appropriate for high-school students, chemists, and teachers. It is equipped with a periodic table containing history, 19 physical properties + number of stable isotopes,...


Platforms: Windows, Windows 8, Windows 7, Windows Server

nmr-relax is designed for the study of the dynamics of proteins or other macromolecules though the analysis of NMR relaxation data. It is a community driven project created by NMR spectroscopists for NMR spectroscopists. It supports exponential curve fitting for the calculation of the R1 and R2...


Platforms: *nix

Have you been longing for an NMR software as stylish as the iMac, as intuitive as the iPod, as resourceful as iLife and as cheap as iWork?Fast, interactive and perfectly integrated with Tiger?Look no further.iNMR is the only NMR software written for Mac OS X.While others say: ;running on' we say:...


Platforms: Mac

Interface to perform advanced searches based on Spotlight. Geared to NMR spectra and chemical files. A query can consist in a single condition or in multiple ones. Source code available.


Platforms: Mac

XDrawChem is a two-dimensional molecule drawing program. It is similar in functionality to other molecule drawing programs such as ChemDraw (TM, CambridgeSoft). It can read and write MDL Molfiles, and read ChemDraw text and binary files, to allow sharing between XDrawChem and other chemistry...


Platforms: Windows, Mac, *nix, C/C++, BSD Solaris

Gabedit is a Graphical User Interface to Gamess-US, Gaussian, Molcas, Molpro, MPQC and Q-Chem computational chemistry packages.Gabedit includes graphical facilities for generating keywords and options, molecule specifications and their input sections for even the most advanced calculation...


Platforms: *nix, C/C++, BSD

The Python Macromolecular Library (mmLib) is a software toolkit and library of routines for the analysis and manipulation of macromolecular structural models, implemented in the Python programming language. It is accessed via a layered, object-oriented application programming interface, and...


Platforms: Windows, Mac, *nix, Python, BSD Solaris

ChemToolBox, the swiss army knife of the lab worker, is a freeware which contains numerous scientific data very useful in a laboratory. Thanks to its own database, ChemToolBox will easily substitute to the time-consuming use of scientific books (such as Handbooks) or online databases....


Platforms: Windows

jVisualizer is a graphical tool to visualize and analyse first-order coppling patterns found in NMR-spectroscopy; additional you can type in chemical shifts from an experiment to calculate coupling constants


Platforms: Windows, Mac, Linux

This is a set of scripts that helps with processing of NMR pH titration data. These scripts allow for fitting (using R) and plotting of data of multiple residues. The program needs to be made more user friendly.


Platforms: Windows, Mac, Linux

Stacked plots are commonly seen in NMR spectroscopy. They often illustrate the evolution of spectra with time or some other parameter. There are several (somewhat equivalent) methods to produce such plots in Matlab. This function serves as a common interface to these various methods. Certainly...


Platforms: Matlab

froi (FS-FAST ROI) is a suite of Perl scripts and modules to provide easy slice-, volume-, and surface-based ROI analysis of functional MRI (fMRI) data analyzed by FS-FAST and Freesurfer (http://surfer.nmr.mgh.harvard.edu).


Platforms: Mac, BSD, Solaris, Linux

This m-file plots a NMR coupling diagram from coupling constants and number of splits (only 1/2-spin nuclei). Useful for educational purposes.Example: plotcoupling([8,2],[3,1])Produces a plot with the coupling constants 8 and 2 Hz, splitted three and one times, respectively.The screenshot is made...


Platforms: Matlab

Janocchio is an application or applet for viewing 3D molecular structures and calculating NMR couplings and NOEs


Platforms: Windows, Mac, Linux

Wattos is a collection of mostly Java programs for Structural Biology and NMR Spectroscopy. It's programs analyze, annotate, parse, archive, and disseminate experimental NMR data deposited by authors world wide into the PDB and BMRB.


Platforms: Windows, Mac, Linux

cnsFace is a GUI for the Crystallography and NMR System.


Platforms: Windows, Mac, Linux

Returns NMR properties of the isotopesEXAMPLEH = isotopes('1H'), T = isotopes('3H'), or if the atomic mass is not specified, i.e. I = isotopes('H'), the function returns array of structures with data for all isotopes of the specified element. Isotopes('n') returns NMR properties for neutron....


Platforms: Matlab

Covariance NMR toolbox, version 1.1 (C) (2010)David A. Snyder(1) along with Timothy Short(1), Leigh Alzapiedi(1) and Rafael Bruschweiler (2)(1) Department of Chemistry, College of Science and Health, William Paterson University; (2) Department of Chemistry and NHMFL, Florida State UniversityThe...


Platforms: Matlab