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-screen

MIPkit -screen ...

-dockmethod : string, default gnina
Specifies whether to use Vina or gnina for docking.

-fms : string, default None
Which functional monomers to screen. If left blank, all FMs will be screened.

-gmxprotein : string, default None
Gromacs processed PDB file used as a docking target in Vina and GROMACS.

-ncpu : int, default #
Number of physical CPU cores to use in both Vina and GROMACS. -1 will use all detected CPUs. Default is a quarter of the physical CPUs detected, rounded down to the nearest 2^n (GROMACS and LAMMPS do weird things with odd CPU counts).

-protein : string, default None
PDB file used as a docking target in Vina and GROMACS. For PDB proteins, -protein should be used instead of -template. If already processed with pdb2gmx, use -gmxprotein instead.

-template : string, default None
PDB file used as a docking target in Vina and GROMACS. -template should be used for non-protein targets, as it avoids the use of pdb2gmx in GROMACS which will throw an error.