HPC SYSTEMS Inc.
High Performance Computing, Computational Chemistry Solution Company
Assistance tool for searching GRRM
Visomin ∼Visual Frontend for GRRM∼
Developed by HPC SYSTEMS Inc. from full scratch. Visomin parses lots of GRRM output files, and makes a simple figure on a web-based interface. It assists you powerfully on the analysis of reaction pathways derived from GRRM.
Visomin enables you to analyze the output of GRRM (text-based, very huge, ex. over 200 files in 5 atoms system) with a lightweight graphical format. Why not improve your productivity with faster analysis ?
Feature
- 2D geographically view of GRRM of EQ/TS/DDC/UDCs outputted from GRRM
- Intuitive view of molecular structure change with an energy profile chart and a 3D animation
- New web standard HTML5-based GUI (Google Chrome or Safari are recommended)
Functions
- GRRM auto-visualization
- Geographic view of the structure transitions drawn by circles and lines
- 3D View of EQ/TS/DDC/UDC
- 3D view of molecular structure by HTML5 rotatable by mouse operations
- Energy profile chart
- Chart of energy differences from EQ0 at a molecular structure change
- 3D animation of molecular structure change
- 3D animation synchronizing with energy profile chart while highlighting the step
- GRRM job management by a batch job system
- Interface for managing GRRM computation jobs
How to obtain Visomin
Visomin will be packed together with GRRM in HPC SYSTEMS' servers (in plan).
Examples
Screenshot |
Auto-visualized GRRM |
3D View of EQ/TS/DDC/UDC, rotatable by mouse |
3D Animation of molecular structure change synchronizing with energy profile chart |
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