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CONFLEX 7 新版本發布

CONFLEX 7 was released worldwide in Q4 2012.It features engine enhancements as well as

an all new and re-designed CONFLEX Interface. Request a Fully Functional Trial of CONFLEX.

The new CONFLEX Interface runs on Linux, Mac OS X 10.6, and Windows XP Pro & Windows 7

both 32- and 64-bit operating systems.

CONFLEX 7 Engine EnhancementsIn addition to all the functions and features of CONFLEX 6+ (below) ,

CONFLEX 7 now includes:

· Crystal Structure Searching and optimization

· Simulation of Powder Diffraction Patterns

· Can be launched from ChemOffice products

CONFLEX 7 Interface Features The CONFLEX 7 Interface includes all the functionality of the previous interface, BARISTA,

in addition to the following improvements in managing CONFLEX engine output.

Modifying Molecules

· Gaussian checkpoint file

· GAMESS log file

· Firefly log file

· Sybyl mol2 file

· Copy & Paste from ChemDraw

· Modify bond multiplicity

Control Features

· Prepare and Run CONFLEX Calculations

· Monitor and control local machine and server processes

· Prepare and Run calculations for Gaussian, GAMESS and Firefly

Visualize Calculation Results

· Display spectra: IR, NMR, CD, UV-Visible, etc.

· Zoom-In and Out on spectra

· Save plots as textual data files

· Report absolute NMR chemical shifts and shifts relative to reference compounds

· Create surfaces for molecular orbitals and electron density

Display Formats

· 3D solid and translucent

· Color surfaces by a property

· Control surface threshold values

· Control surface transparency

· Automatically load binary cubed created by CONFLEX

· Automatically save computed cubes for future use