CONFLEX Corporation provides conformation search and analysis software for examining the conformational space of small and large molecules. Identifying these conformers helps researchers in the selection of better quality leads during the discovery process. CONFLEX also includes algorithms for predicting IR, NMR, CD, and UV-Vis spectra.

CONFLEX also develops and licenses the CONFLEX Interface, a visualization and analysis platform especially designed for analysing CONFLEX outputs, e.g. conformational analyses, spectra output, and crystal packing, spectra, etc.

CONFLEX software products provide meaningful answers to both the expert computational chemist as well as the experimental and medicinal chemist investigating the role of molecular conformation. Designed for chemists by chemists, CONFLEX products exhibit high-accuracy, intuitive interfaces, and powerful command-line operation for interfacing with other modeling packages.

New features in CONFLEX 7 and later include Crystal Search and Optimization
Powder Diffraction Prediction, and the ability to run CONFLEX from ChemOffice products.


  1. Implement DRC (Dynamic Reaction Coordinate) Method
  2. Conformation Search invoking external Gaussian program
  3. Parallelization of Crystal Structure Optimization using OpenMP
  4. Hybrid parallelization of Crystal Search using OpenMP/MPI
  5. Speed up checking conformers by examining dihedral angle
  6. Revised atomic weight for use in calculation

NEW IN CONFLEX Interface 8

  1. Accelerated drawing of molecule by using OpenGL SL
  2. Animation for vibrational mode
  3. Displaying crystal surface by (h,k,l) indices
  4. Line display of molecule
  5. Geometry label between unconnected atoms
  6. Watch List feature for multiple geometry labels display
  7. Geometry label between molecules inside crystal
  8. New toolbar
  9. Support for new features of CONFLEX 8
  10. Enhancement for reading of PDB file