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Created date
Make sure makeStartingStructureWhole.py is no longer confused by ligands containing an OC2 atom
!6
· created
Dec 21, 2023
by
Sebastian Wingbermuehle
updated
Dec 21, 2023
Scripts to perform an additional energy minimisation
!4
· created
Sep 20, 2023
by
Sebastian Wingbermuehle
1
updated
Sep 29, 2023