PERCH Tools for BRUKER Software

PERCH Solutions and Bruker BioSpin have teamed up to bring you advanced software tools for NMR analysis, integrated into the Bruker BioSpin TopSpin & AMIX programs.

NMR Prediction
The Advanced NMR Prediction uses most realistic descriptors based on the 3D molecular structure and its flexibility to predict NMR parameters including solvent effects and pH with full stereochemistry (distinguishing diastereomers) and predicts ¹H and ¹³C-NMR spectra including all higher order effects and the given line-shape within 0.1 ppm for ¹H and 2.5 ppm for ¹³C (mean absolute deviation for sp³).


4D-Structur Editor & Molecular Modeling
The 4D-Structur Editor & Molecular Modeling module provides 2D/3D structure conversion, geometry optimization, conformational analysis including molecular dynamics and Monte Carlo calculation as well as PERCH’s unique “rubber-band” editing.


2D-Pattern Verification (in AMIX 3.7)
PERCH's ¹H and ¹³C-NMR with corresponding error bars are used to verify patterns in HSQC-spectra.


Automatic Numbering
The Numbering Tool automatically numbers Atoms in a given MOL-file with terminal atoms having the same main index as the atom they are connected to.