Command line utilities giving you access to Cresset's XED force field
XedeX is a force field conformation explorer that uses our unique XED force field. Optimized to produce a diversity of energy minimized ligand conformations in a small number of conformations, XedeX performance is exceptional in reproducing the ligand bioactive conformation in 100 conformations in the majority of drug-like ligands.
XedMin enables ligand minimization with the XED force field.
I have been a believer in field based methodology since I began work in the pharmaceutical industry and I was an early adopter of the Cresset technology. I believe the XED force field that underlies Cresset’s software provides the ability to model molecules and their molecular fields in a way that is as close to high level quantum mechanics as possible, giving valuable insights into structure reactivity relationships. I strongly recommend its use and am very pleased to provide this functionality to Victrix clients.