SAMSON Python Scripting samples
Installation instructions and tutorials for Python Scripting in SAMSON
Content:
- animations - how to create movies with animations
- building - examples of how to build molecular systems
- plotting - examples with plotting various properties, e.g. RMSD
- postprocessing - examples of how to post-process data obtained in SAMSON e.g. analyze trajectories, compute bond lengths
- preparation - examples of preparing systems using other packages
- selection - examples of how to select and use selections in SAMSON using python
- simulation - examples of how to perform automated simulations in SAMSON using python and using other packages, e.g. ASE.
- tools - examples of usages of other tools, e.g. superposition of molecules using MDAnalysis and MDTraj
- visualization - how to apply visualization and colorizations in SAMSON using python
- samples - sample files used in the examples