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.
ViewVCD software extracts IR and VCD intensities from Gaussian 98 and Gaussian 03 output in ASCII XY-format. It provides templates for comparison plots of observed and calculated spectra.
Software for protein structure elucidation. Provides superior results for determination in: secondary structure, conformational stability, characterization screening and formulation analysis.