Nmr Spectroscopy

PySpline is a graphical, cross-platform program for processing X-ray absorption spectroscopy (XAS) and Extended X-ray absorption fine structure (EXAFS) data. It allows processing parameters to be adjusted and observe the effect on R-space data. Platforms: Windows, Mac, Linux

The icoshift tool for Matlab is an open source and highly efficient program specifically designed for solving signal alignment problems in metabonomic NMR data analysis, but it can also properly deal with other spectra-like datasets (e.g. data from other spectroscopic methods or chromatographic... Platforms: Matlab

ChiantiPy is the Python interface to the CHIANTI atomic database for astrophysical spectroscopy What is CHIANTI The CHIANTI provides a database of atomic data that can be used to interpret the emission of spectral lines and continus emitted from high-temperature, optically-thin astrophysical... Platforms: *nix

listadmin is a command-line alternative to Mailmans Web interface for administering mailing lists. Mailman has a friendly but rather awkward web interface for manipulating the queue of messages held for moderator approval. Since I maintain a couple of dozen lists, some of which receive 50+... Platforms: *nix

p3d is a general data-reduction tool that is intended to be used with data of fiber-fed integral field spectrographs (IFSs). This tool can be useful for people who have access to astronomical data of such an instrument. Data-reduction tasks, which are performed by p3d, convert raw data of CCD... Platforms: Windows

p3d is a general data-reduction tool that is intended to be used with data of fiber-fed integral field spectrographs (IFSs). This tool can be useful for people who have access to astronomical data of such an instrument. Data-reduction tasks, which are performed by p3d, convert raw data of CCD... Platforms: Mac, Linux

The Unscrambler Online enables full utilization of PLSR and PCR models for prediction, and of PLS, PCR and PCA models for classification, developed in The Unscrambler software. The use of Unscrambler Online results in effective application of multivariate statistical approaches in process and... Platforms: Windows

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

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

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