CONFLEX Interface Manual


Thank you for purchasing CONFLEX.
CONFLEX is a program for the calculation of

  • conformation space search
  • crystal structure prediction
  • normal vibration analysis
  • thermodynamic quantities
  • ultraviolet and visible light absorption spectra
  • circular dichroism spectra
  • NMR coupling constants


CONFLEX algorithms take into account conformational searches and conformational distribution for organic molecules using molecular mechanics. Many users find CONFLEX to be a powerful tool for carrying out various computational studies requiring three-dimensional conformation and analysis of flexible molecules. This manual provides an explanation of how to use CONFLEX.

CONFLEX Interface Basics

The CONFLEX Interface is used to submit jobs to the CONFLEX Engine, and to analyze the results.
It comprises the following basic functions:

  • Opens each type of molecule file and displays the molecular structure
  • Opens each type of calculation results file and displays the structure and related data
  • Submits jobs to the CONFLEX Engine for calculation locally or on a computational server
  • Displays various molecular attributes of structures, e.g. interatomic distance, angle, etc.
  • Displays molecular surface and molecular orbitals using quantum chemistry calculation data
  • Displays various Spectrum

When the CONFLEX Interface is activated, a menu system and multiple dialogs are displayed.

Docked mode

The menu bar features the following items:

  • File menu
  • Edit menu
  • View menu
  • Calculation menu
  • Tools menu
  • Window menu
  • Applications menu
  • Help menu

The following dialogs are displayed upon activation:

  • Molecule Box
  • Property Box
  • Object Inspector

The following sections describe each of the menus and dialogs, including those that are not displayed at startup.