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Job short description (visible in queue):
AvNAPSA-positive
AvNAPSA-negative
(Remember, AvNAPSA mode is deterministic, the only options that matter for AvNAPSA mode are target net charge OR (not and) surface atom cutoff.)
target_net_charge_active
Rosetta positive supercharging
Include ARG
Include LYS
Rosetta negative supercharging
Include ASP
Include GLU
Don't mutate glyprocys
Don't mutate correct charge
Don't mutate hbonded sidechains
Pre-packminpack input structure
Compare energies of all residues
Compare energies of mutated residues
Job Description (for your own records):
Res file:
Rosetta mode is default, if you want AvNAPSA mode, use one of these checkboxes:
AvNAPSA-positive
AvNAPSA-negative
(Remember, AvNAPSA mode is deterministic, the only options that matter for AvNAPSA mode are target net charge OR (not and) surface atom cutoff.)
target_net_charge_active
Target net charge:
Surface definition atom neighbor cutoff:
Include ARG
Include LYS
Reference weight for: ARG:
Reference weight for: LYS:
Rosetta negative supercharging
Include ASP
Include GLU
Reference weight for: ASP:
Reference weight for: GLU:
Don't mutate glyprocys
Don't mutate correct charge
Don't mutate hbonded sidechains
Pre-packminpack input structure
Compare energies of all residues
Compare energies of mutated residues
Number of structures:
ROSIE is web front-end for Rosetta software suite. Developed by Sergey Lyskov, GrayLab at JHU. Copyright © 2013 Rosetta Commons Member Institutions.