An all inclusive package for calculation of VCD spectra. Combines: structure building, extensive conformational search, easy integration with Gaussian09 and plotting of calculated spectra.
Confidence level algorithm for comparing VCD and ROA experimental and theoretical spectra.
Software for protein structure elucidation. Provides superior results for determination in: secondary structure, conformational stability, characterization screening and formulation analysis.
Software tool for extracting energies from Gaussian Log files