CONFLEX 7 新版本发布
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
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Control Features |
· Prepare and Run CONFLEX Calculations · Monitor and control local machine and server processes · Prepare and Run calculations for Gaussian, GAMESS and Firefly
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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
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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
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