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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.
Describe the solution you'd like
A clear and concise description of what you want to happen.
The examples could be documented on biosimspace's website in a cookbook section between tutorials and detailed guides.
Is your feature request related to a problem? Please describe.
A clear and concise description of what the problem is. Ex. I'm always frustrated when [...]
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:
Describe the solution you'd like
A clear and concise description of what you want to happen.
The examples could be documented on biosimspace's website in a cookbook section between tutorials and detailed guides.