Internal Molecular Ray Collision Detection

Pre-melding

Post-melding

• Begin with property-encoded TAE molecular surface

  • Use 0.002 e/au3 electron density isosurface (104-105 elements)

• ëBounceí rays throughout the volume of a molecule

  • Random starting location and direction
  • Ray collision detection technology

PIP encoded isosurface

PIP encoded isosurface with portion removed

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