GridMol
A Molecule Visualizer And Builder by SCCAS
Overview:
A typical application of SaaS (Software as a Service) for molecular modeling and visualization.
An extensible tool for building a high performance computational chemistry platform in the grid environment.
Provides computational chemists one-stop service for molecular modeling, scientific computing and result visualization.
Features:
- Technical Characteristics
- Browser/Server Architecture
- Java/Java 3D Based
- OS Independent
- Molecular Visualization
- supports various formats(xyz,pdb,xmol etc.)
- provides various display modes
- showing "alive" molecule(translation, rotation, zoom, animation)
- molecular structure information
- Molecular Modeling
- add atom/radical from periodic table or radical table which is very extensible with easy configuration.
- modify bond type, bond length, bond angle, dihedral angle, etc.
- Result analysis
- supports Guassian log file
- calculation summary
- vibration animation
- specturm analysis: IR, Raman, VCD, etc
- Job submission
- integrated onto CNGrid(China National Grid, the biggest Grid in China)
- job submission
- job status monitoring
