This repository was archived by the owner on Dec 2, 2024. It is now read-only.
This repository was archived by the owner on Dec 2, 2024. It is now read-only.
scripts : TODO #100
Description
Docking scripts
- irmsd.py : applies to atomic models by default -> this should be changed to default=coarse-grained
does not superpose the interfaces by default -> idem, switch the default to the contrary - fnat.py : only applies to coarse-grained models; needs an option for atomic representation
- fIR.py : idem (plus, its name has been changed from fpib.py to fIR.py -> change the name in all scripts
that import fpib) - add a script rmsd.py
- energy-mapping script : replace by Charles' version