PERCH NMR Software

The present release provides the following features: Free Download

PROCESSING
Data import (20 different formats), FFT (interactive windowing), automatic peak-picking, peak-top interpolation, line-shape analysis, effective Fourier/polynomial baseline correction with up to 200 terms, automatic line-width/noise estimation, manual and automatic integration, packing & smoothing procedures,

QUANTIFICATION
Deconvolution with total-line-shape fitting, versatile constraint features and a mode for Monte Carlo analysis (for testing the ambiguity of the solution),

3D-STRUCTURE EDITOR
Drawing, importing/exporting, appending, visualizing 3D-structures, templates, "elastic model" editing,

MOLECULAR MODELING
Geometry optimization, molecular dynamics, conformational space analysis,

ADVANCED PROTON NMR PREDICTION
Chemical shift & coupling prediction based on the 3D molecular structure including conformational space analysis and solvent effects,


SPECTRAL ANALYSIS
Graphical spectral parameter editor, PERCHit iterator, simulation of spin-systems containing up to 100 spin-particles, divided into up to 50 sub-systems each containing up to 50 spin-½ particles, several iterative modes, including the traditional LAOCOON-type, peak-top-fitting for accurate analysis in presence of line-overlap, a very fast integral transform analysis and a total-line-shape mode,


OUTPUT/PRINTING
On all Windows printers and Copy/Paste as metafile to other Windows applications.