Nmr Spectroscopy

Fityk [fi:tik] is a program for data processing and nonlinear curve fitting. It is primarily used... * by scientists who analyse data from powder diffraction, chromatography, photoluminescence and photoelectron spectroscopy, infrared and Raman spectroscopy, and other experimental techniques,...

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).

A tool for visualisation and analysis of STM and STS results. Currently supports RHK, WinSPM, Nanonis and Createc file formats. Other formats can be added. Tools are made available by plugins and are currently focused on spectroscopy manipulation.


Platforms: Windows, Mac, Linux

Import coordinates, restraints and shifts into a CCPN project. Prepare your NMR structure to be deposited at PDBe.


Platforms: Windows, Mac, Linux

PyVib2 is a program for analyzing vibrational motion and vibrational spectra. It is an open source 'all-in-one' solution for scientists working in the field of vibrational spectroscopy (Raman and IR) and vibrational optical activity (ROA and VCD).


Platforms: Windows, Mac, Linux

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

A collection of m-files aimed at learning and teaching about the principles of diffraction gratings. Some of these show a cross section of the geometry of a diffraction grating, a common illustration in textbooks of optics, spectroscopy, and analytical chemistry.Sliders on the figures allow...


Platforms: Matlab

1.IntroductionThe Flex99OEM-12C by Correlator.com is an USB single-channel auto-correlator respectively two-channel cross-correlator. I use it for Fluorescence Correlation Spectroscopy FCS experiments.This MATLAB interface provides an ease-of-use and simple access to the correlator hardware. It...


Platforms: Matlab

UNFOLDPROTEIN(data, bracket) calculates the melting temperature, Tm, of a protein from a given Nx2 array of unfolding data (with N >= 10). In the case of unfolding studies performed using circular dichroism spectroscopy, the second Tm calculated using the maximum of the first derivative of the CD...


Platforms: Matlab

1. IntroductionThe Flex02-08D by Correlator.com is an USB correlator for single- and dual-channel auto- and cross-correlation. The correlator simultaneously calculates up to four auto- and cross-correlations while recording the raw photon traces and the photon counting statistics (histograms). It...


Platforms: Matlab

1. IntroductionThe Flex02-01D by Correlator.com is an USB correlator for single- and dual-channel auto- and cross-correlation. The correlator simultaneously calculates up to four auto- and cross-correlations while recording the raw photon traces and the photon counting statistics (histograms). It...


Platforms: Matlab

We present some basic programs written for the MATLAB environment for the analysis of optical and acoustic data and for signal processing. These programs exploit novel concept derived from a theoretical physics approach. These programs can be easily customized by the expert user, but they...


Platforms: Matlab

This function will rotate a a 2nd rank spherical tensor using reduced Wigner rotations.example:Chemical shift anisotropy is often described by a 2nd rank spherical tensor in the Principal Axis System(PAS):R(2,m)(PAS)=sqrt(3/2)*aniso*[-sqrt(6)*eta/6 0 1 0 -sqrt(6)*eta/6]This tensor will be...


Platforms: Matlab

The Tracker Sampler Package contains several video analysis and modeling experiments from mechanics to spectroscopy. It is distributed as a ready-to-run (compiled) Java archive containing Tracker (video analysis and modeling tool), movies, and some initial analysis. Double clicking the...


Platforms: Mac

ProDy is a Python package designed for protein structural dynamics analysis. ProDy is developed by Ahmet Bakan and licensed under the GPLv3. New features and functions are constantly being added to ProDy. The following are the main features that are present and working fine: Protein structure...


Platforms: Mac