When visualising any changes needed for the dashboard the data from the raw analysis.json needs to be processed through fah-xchem. Additionally FAH directories are needed for this input.
In order to easily test changes locally we need a script that can generate a dummy analysis.json that matches some simple free energies (e.g. -1, -2, -3 kcal/mol) as well as globals.csv and positions.xtc etc. It'd also be useful to adapt the script to help with future debugging.
When visualising any changes needed for the dashboard the data from the raw
analysis.jsonneeds to be processed throughfah-xchem. Additionally FAH directories are needed for this input.In order to easily test changes locally we need a script that can generate a dummy
analysis.jsonthat matches some simple free energies (e.g. -1, -2, -3 kcal/mol) as well asglobals.csvandpositions.xtcetc. It'd also be useful to adapt the script to help with future debugging.