Integrate "good to keep" class methods from mcce_dev/src/ms_sampling_to_pdbs.py into Stable_MCCE/bin/ms_analysis.py - Githubissues

GunnerLab / Stable-MCCE

Stable version of MCCE.

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Integrate "good to keep" class methods from mcce_dev/src/ms_sampling_to_pdbs.py into Stable_MCCE/bin/ms_analysis.py #262

Closed CatChenal closed 7 months ago

CatChenal commented 7 months ago

In Stable_MCCE/bin/ms_analysis.py implement:

Sortable Microstate class
Add methods in MSout:
- .sort_microstates
- .get_ms_sample