Cookbook

[jmichel80]

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It would be nice to collect a series of short BSS scripts that illustrate how to do practical molecular modelling tasks with the framework.
Examples include:

• loading a topology/coordinate file , re-ordering molecules and saving to a different file format
• loading a topology/coordinate file, replacing a molecule with a new one, optionally aligning coordinates, saving the resulting topology
• searching for ligands/proteins in a multimolecules coordinates input, and parameterising each component.

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The examples could be documented on biosimspace's website in a cookbook section between tutorials and detailed guides.