conformational search software, low energy conformers, conformation analysis
About CONFLEX conformational search software CONFLEX conformational search software

What is CONFLEX ?

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 include Crystal Search and Optimization
Powder Diffraction Prediction, and the ability to run CONFLEX from ChemOffice products.
CONFLEX 7.0 Brochure

  • CONFLEX is introduced at the web site of 'Exploring Chemistry with Electronic Structure Methods' by Gaussian, Inc.. Conformational Searching with CONFLEX

  • The sixth blind test of Organic Crystal Structure Prediction ended in August 2015.
  • CONFLEX program produced great results on the crystal structure prediction in the sixth blind test hosted by the Cambridge Crystallographic Data Centre. In the blind test, participants were challenged to predict nine crystal structures of five target systems: one of them, that is, XXIII has five polymorphs. Drs. Shigeaki Obata and Hitoshi Goto who are members of CONFLEX developers participated the blind test and attempted to predict seven crystal structures of three target systems. As the results, they generated successful predictions of XXII and XXIII form B crystal structures and the heavy-atom positions in the XXIII form D crystal structure by means of their original methods. The original methods has been already introduced into CONFLEX7 program.


  • Calculate sum of interaction energies in hemispherical crystal
  • Performance improvement for crystal structure search (Parallel CONFLEX)
  • Change the definition of crystal energy
  • Support for MOL2 file format
  • Expanded torsion interaction
  • New keyword for fixed E-Z torsional configuration


CONFLEX More Info »

Conformation Analysis System. Unique capability to completely search the conformational space of a flexible molecule to find every optimal structure.

Interface More Info »

The Visualization Interface for CONFLEX is now available for Mac, Windows, and Linux.

Consulting More Info »
Conformation Analysis Consulting using CONFLEX. An affordable alternative to licensing CONFLEX® software.
News & Events
American Chemical Society Exposition
San Francisco, CA
Booth 1112
April 2-4, 2017
News & Events
The 17th Asian Chemical Congress
Melbourne, Australia
Booth G26
July 23-28, 2017
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