Chemlab

Latest version: v1.1

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1.0b1

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

0.4.1

Python 3 verified support

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

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