Autogenerated Tag Syntax Documentation:


XRW TO DO

<DetectProteinLigandInterface name="(&string;)" repack_only="(false &bool;)"
        cut1="(6.0 &real;)" cut2="(8.0 &real;)" cut3="(10.0 &real;)"
        cut4="(12.0 &real;)" arg_sweep_cutoff="(3.7 &real;)"
        design="(true &bool;)" resfile="(&string;)"
        design_to_cys="(false &bool;)" segment_interface="(true &bool;)"
        catres_interface="(true &bool;)" arg_sweep_interface="(true &bool;)"
        catres_only_interface="(true &bool;)" target_cstids="(&string;)" />
  • repack_only: XRW TO DO
  • cut1: Design all residues with Calphas within this distance to the ligand
  • cut2: Design all residues with Calpha-Cbeta vectors pointing toward the ligand, and with Calphas within this distance to the ligand
  • cut3: Repack all residues with Calphas within this distance to the ligand
  • cut4: Repack all residues with Calpha-Cbeta vectors pointing toward the ligand, and with Calphas within this distance to the ligand
  • arg_sweep_cutoff: XRW TO DO
  • design: Enable design of residues?
  • resfile: Use behavior specified in resfile, autodetecting only those residues with property AUTO
  • design_to_cys: Permit changing non-cysteine residues to cysteine?
  • segment_interface: XRW TO DO
  • catres_interface: Consider catalytic (enzdes constrained) residues as part of the interface
  • arg_sweep_interface: Use arginine-reachability to interface as the criterion for defining designable positions instead of distance
  • catres_only_interface: Consider only neighbors of catalytic residues (not ligand) for defining interface
  • target_cstids: Comma-separated list of particular constrained residues to be considered as exclusive targets for interface detection (e.g. 1B,2B,3B)