Selectors

Selectors are collections of keywords used to “select” parts of the system and act on them. For example, you can select a part of the system and define as rigid body, add to an EM restraint, or other restraints.

Syntax / list of allowed keywords:

{
    "subunit": "....",
    "state": "....",
    "states": "....",
    "domain": "....",
    "serie": "....",
    "copies": "....",
    "chain_id": "....",
    "chainIds": "....",
    "filename": "....",
    "resi_ranges": "....",
}

Additionally, Input structures and Rigid bodies specifications allow using the special foreach_serie and foreach_copie modifiers. They allow to apply selectors to all series in the sytem and/or to all copies within the matching series.

Examples:

Residue 925 of the Nup120 subunit in the series named NR_1

{"subunit": "Nup120", "serie": "NR_1", "resi_ranges": [925]}

The membrane_binding domain of the Copy 0 of the Nup155 subunit in the IR_cyt_outer ring (one of the four sub-rings of the inner ring of the nuclear pore complex)

{
    "name": "Nup155",
    "subunit": "Nup155",
    "domain": "membrane_binding",
    "copies": [
        0
    ],
    "serie": "IR_cyt_outer"
}

All copies of Nup107 subunit in the CR series

{
    "name": "Nup107",
    "subunit": "Nup107",
    "serie": "CR"
}

Define the same PDB file for each copy of Elp1 in all series

{
    "foreach_serie": true,
    "foreach_copy": true,
    "components": [
        { "name": "Elp1",
        "subunit": "Elp1",
        "domain": "propeller1",
        "filename": "in_pdbs/Elp1_NTD_1st_propeller.pdb"
        }
    ]
}

Define a rigid body for propeller1 domain for each copy of Elp1 in all series

{
    "rigid_bodies": [
        {
            "foreach_serie": true,
            "foreach_copy": true,
            "components": [
                { "name": "Elp1_1", "subunit": "Elp1", "domain": "propeller1"}
            ]
        }
    ]
}