CONFLEX&Interface 7C was released worldwide in October, 2015.
- Host-Ligand Coordination Search
The stable position and orientation of a molecule or an ionic species relative to
other molecule(s) can be found by this function. It is useful for specifying the
stable structure of dimers or complex molecules.
- Parallel CONFLEX for Windows
MPI parallel calculation of conformation search and crystal structure
optimization are available on Windows (Parallel CONFLEX is required).
NEW in Interface 7C (Interface is now included in CONFLEX)
- User can change Search Limit setting inside Basic Settings dialog.
- User can setup Gaussian calculation and submit job to local machine.
- The new application Scheme Editor can modify settings of Basic settings dialog.
The new application Spectra Analyzer can synthesize multiple spectra of
conformers calculated by Gaussian application.
- User can rotate molecule by entering the desired angle value.
- Display molecule shape information inside the object inspector dialog.
- Display vibrational spectra in orientation anisotropic way.
- The local Parallel CONFLEX execution is supported on Windows multi-core machine.
- Platform LSF is supported as job scheduler.
- Hardware Requirements:
- CONFLEX 7C runs on:
- Windows: 7, 8.1 (32/64bit)
- Mac: OS X 10.8-10.10
- Linux: CentOS 6.1-6.6, 7.0, Ubuntu 12.04.3, 14.04