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chandkc / X-ESS

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Blind Docking: protein-BLIND comb. is not needed. #85

Open chandkc opened 2 years ago

chandkc commented 2 years ago
  1. A count for the no. of combinations can be shown.
  2. protein-BLIND combination is not needed

Screen Shot 2022-09-28 at 4 26 04 PM

chandkc commented 2 years ago

Info Icon: If user selects non-FILL selections, the BLIND Docking would restart.

chandkc commented 2 years ago

Suggestion: If user intends to do BLIND docking again by: (a) changing some parameters; or (b) changeing probe molecule She goes back, update the parameters and re-run BLIND docking. The older data (previously run BLIND Docking) will be lost.