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CONFLEX Interface is Graphical User Interface used with CONFLEX. It aids in the creation of CONFLEX input files and analyze CONFLEX output files.
The main functions of the program are as follows

• Open molecular files and display molecular structures.
• Open calculation result files and display structures, spectra, etc.
• Submit jobs to calculation programs installed locally or on a server.
• Observation of interatomic distances, angles, etc.
• Display molecular surfaces and orbitals using quantum mechanical calculation data

CONFLEX Interface Features at a Glance

Supported File Formats

• MDL Mol file: .mol, .sdf
• CONFLEX output file: .bso, .nmr
• Multiple Structure file: .sdf, .mol2
• SYBYL MDL2ファイル：.mol2
• PDB file: .pdb
• Crystal Structure file: .cif, .cmf
• Gaussian Formatted Checkpoint file: .fchk
• Cut & Paste from ChemDraw

Manipulate a Molecule

• Automatic bond generation based on atom distance
• Modify formal atomic charge
• Modify bond order

Molecular Display

• Line, Ball & Stick, CPK
• Rotate, Translate and Zoom in 3D using mouse operations
• Atom labels for element and serial number
• Animate normal modes
• Animate sequences of DRC trajectory

Prepare and Run CONFLEX Calculations

• Create input file via setting dialogs interface
  • Search Limit (SEL) for conformation search
  • Solvent effect parameters
  • Space group(s) for crystal calculation
  • etc...
• Save setting template
• Easy setup for frequently used settings
• Submit CONFLEX or Gaussian job, locally
• Submit CONFLEX or Gaussian job over a network

Working with external programs

• Perform calculations such as Gaussian
• Support for job management systems
  PBS, Grid Engine, Platform LSF

Visualizing CONFLEX Results

• Show calculation results summary
• Show geometry labels for
  atom distance, angle, dihedral angle
• Display of conformations after search
• Vector display for normal modes
• IR, NMR, CD, UV-Vis Spectrum display
• Molecular orbitals and charge density iso-surface
• Crystal Structure