ReaxTools Web 1.95(dev)

ReaxTools Pro simplifies reactive molecule dynamics analysis, offering seamless compatibility with LAMMPS, CP2K, GPUMD, and any program generating XYZ-style trajectories.

The software provides comprehensive visualization tools including:

Species, bond, atom type, and ring statistics
Advanced network analysis capabilities
Interactive reaction network visualization
Atom transfer and flow analysis tools

Get started quickly: Load Example and run your first analysis.

Inputs

1. Select .lammpstrj or .xyz file:

2. Extra input options:

Console Outputs

Data Visualization

version 1.95: (For local version): smiles output and molecule hashes.

version 1.94: BugFixes

version 1.93: New parameters: -tv and -tr, can define new element types for atom tracking(see Options)

version 1.92: Performance boost, web version now supports systems with >50,000 atoms

Author: Graphite Mail: chenhx_cpu@163.com