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Features
List |
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| QMolView
works with US Gamess and PC Gamess versions. QMolView
was tested with log files of: |
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PC-UNIX Gamess Version 12 DEC 2004 (R2), 14 JAN 2003 (R3), 6 SEP 2001 (R5), 25 MAR 2000 |
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PC Gamess 6.4 Build 2606, 6.3 Build 2260, 6.2 build 2068, 6.0 Build 1911 and
5.3 Build 1677. |
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Integral
support for the energy, gradient, hessian, properties,
optimize, sadpoint and IRC calculations |
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Support for directly running of the PC GAMESS from QMolView interface, with the next options:
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run GAMESS as an QMolView child process with log capture (the log can be saved at the end of execution or saved incremental, line by line, during the execution) |
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run GAMESS as separate process without log capture |
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save run script for manually execution |
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create a Task Scheduler job |
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Primary support for editing GAMESS input |
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Project
management: QMolView support an unlimited number of files
organized in special folder named study |
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Project
Report: displays information about job properties, calculation
properties, molecule coordinate and properties, results,
resource used and system info |
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Project can be saved as a package, which can be used for
exchanging data between GAMESS users. |
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Graphical representation of molecule as Wireframe, Stick,
Ball & Stick, Space Filling, Points, Licorice with extended render settings |
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Support
for vibration, optimize and IRC results animation |
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Graphical
representation of data from study report, optimization and IRC history, and theoretically spectrum of hessian calculation |
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Integrated
full suport for GAMESS Manual |
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Easy
creation of a new input file from Gamess, Mopac and XYZ
file |
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Templates
file support for fast building of a new input file |
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Integrated
wizards for exporting input files in one step, conformer
analysis, Boltzmann calculation, monitors coordinate |
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Export
of the results into a plethora of known formats (CSV file,
Text file, MS Word, MS Excel, HTML file, xyz, Bitmap) |
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Modern and customizable user interface |
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and
much more... |
