Two Questions:
-
Why does MTiOpenScreen select 488 ligands out of the total 3785 ligands I uploaded, when I haven’t applied any filters?
-
To demarcate the search space, I specify grid dimensions of 20 cubic Angstroms and list a set of binding site amino acids on Chain A of my protein, yet MTiOpenScreen still seems to think I am doing blind docking. I get a job message mentioning my protein is too large for blind docking, and there are docked confomers in both Chain A and Chain B of the protein (also in between). I just want the search space confined to the specified binding region. Am I setting some job parameter incorrectly?
Session information:
- id: Z03676176321983
- email: None
- activated?: True
- authenticated?: False
Job information:
- id: RPBS Web Portal
- date: Wed, 14 Jun 2023 20:32:16 +0000
- status: finished
- user error in parameter: None
- user error message: None