Chemlab Versions Save

Completely redesigned core:

• fast and consistent
• easy subsetting of molecules/systems
• early support for residues
• Method system.display

Better utils to deal with periodic boundary conditions New Trajectory object

Python 3 verified support

Version 0.3

chemlab.core:

• New bond handling with the Molecule.bonds and System.bonds attributes
• Possibility to add charges

chemlab.graphics:

• Post Processing Effects:
  • FXAA - Fast Approximate Antialiasing
  • Gamma Correction
  • Glow
  • Outline
  • SSAO - Screen Space Ambient Occlusion
• Renderers
  • Implemented toon shading for different shapes.
  • CylinderImpostorRenderer -- a really fast way to draw cylinders
  • Offline Rendering at any resolution supported by the video card.
  • Started some work on user interaction for a full molecular viewer.

chemlab.db:

• New Databases:
  • RCSB for protein structures
  • ToxNetDB for properties
  • ChemspiderDB