Open nelse003 opened 6 years ago
In cases where event isn't found, does the occupancy code give non zero minma? Does refinement give a non-zero value for the ligand occupancy?
[ ] Copy atom placement from original hit
[ ] Run refinement on copies with new atoms (pre-exhaustive.py)
[ ] Run exhaustive_search code on refined copies with new atoms (exhaustive-search/ repeating exhaustive-search)
[ ] Run minima generation on exhaustive search results (process-exhaustive.py)
[ ] Plot using occupancy_histogram.py
In cases where event isn't found, does the occupancy code give non zero minma? Does refinement give a non-zero value for the ligand occupancy?
[ ] Copy atom placement from original hit
[ ] Run refinement on copies with new atoms (pre-exhaustive.py)
[ ] Run exhaustive_search code on refined copies with new atoms (exhaustive-search/ repeating exhaustive-search)
[ ] Run minima generation on exhaustive search results (process-exhaustive.py)
[ ] Plot using occupancy_histogram.py