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

  1. 2D geographically view of GRRM of EQ/TS/DDC/UDCs outputted from GRRM
  2. Intuitive view of molecular structure change with an energy profile chart and a 3D animation
  3. 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
Screenshot
Auto-visualized GRRM
GRRM in Visomin
3D View of EQ/TS/DDC/UDC, rotatable by mouse
3dView
3D Animation of molecular structure change synchronizing with energy profile chart
Animation