This section contains some screenshots and images exported from Molekel. Click on the thumbnails to enlarge the images. Note that all you see here is rendered in real-time.

Graphical User Interface

HOMO and LUMO with correct transparency Density matrix + plane probe Electron density + plastic shader Molekel on Mac OS X Molekel on Linux Molekel on Windows Plane probe used to visualize an Electrostatic Potential distribution Solvent Excluded Surface with color mapped electrostatic potential Radiation spectra

Exported images

Multiple electron density surfaces Surface sketch with plane probe HOMO and LUMO with correct transparency Molecular orbitals and nodal surface Alanine molecule with Solvent Excluded Surface Iso surface with x-ray rendering effect Molecular orbitals Sketch-like rendering of Solvent Excluded Surface Density matrix + MEP with plastic shader.

Current Research

This section is a showcase for a new rendering engine not yet integrated with Molekel.

Real-time raytracing with precomputed ambient-occlusion Real-time raytracing at 30 FPS of 600k atoms & bonds with per-atom color-coded scalar values Real-time raytracing at 30 FPS of 600k atoms (+ GUI) Ambient occlusion Solvent Excluded Surface rendered with ambient occlusion Volume rendering with sine transfer function Volume rendering with cutting plane Volume rendering with phong shading


Videos showcasing various features of the new engine such as real-time ray-tracing with ambient occlusion.