scripting_documentation/RosettaScripts/xsd/mover_ComputeLigandRDF_type

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Autogenerated Tag Syntax Documentation:

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ComputeLigandRDF computes Radial Distribution Functions using pairs of protein-protein or protein-ligand atoms.

<ComputeLigandRDF name="(&string;)" ligand_chain="(&string;)"
        bin_count="(100 &non_negative_integer;)" smoothing_factor="(100 &real;)"
        range="(10 &real;)" mode="(&pocket_or_interface;)" >
    <RDF function Tag ... />
</ComputeLigandRDF>

• ligand_chain: (REQUIRED) Chain ID of the ligand.
• bin_count: Number of bins to represent the distribution, default=100
• smoothing_factor: Set smoothing factor. Default=100.
• range: Max distance to include in RDF (radius). Defaut=10 Angstroms
• mode: (REQUIRED) interface mode: RDF is computed using all ligand atoms and all protein atoms within 10 Angstroms of the ligandpocket mode; RDF is computed using all protein atoms within 10 Angstroms of the ligand.

"RDF function Tag": Any of the RDF Functions

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