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Autogenerated Tag Syntax Documentation:

XRW XSD: TO DO

<AddOrRemoveMatchCsts name="(&string;)" cstfile="(&string;)"
        cst_instruction="(&cst_instruction_types;)"
        keep_covalent="(false &bool;)"
        accept_blocks_missing_header="(false &bool;)"
        fail_on_constraints_missing="(true &bool;)" />
  • cstfile: name of file to get csts from (can be specified here if one wants to change the constraints, e.g. tighten or relax them, as the pose progresses down a protocol.)
  • cst_instruction: (REQUIRED) 1 of 3 choices - "add_new" (read from file), "remove", or "add_pregenerated" (i.e. if enz csts existed at any point previosuly in the protocol add them back)
  • keep_covalent: during removal, keep constraints corresponding to covalent bonds between protein and ligand intact (default=0).
  • accept_blocks_missing_header: allow more blocks in the cstfile than specified in header REMARKs (see enzdes documentation for details, default=0)
  • fail_on_constraints_missing: When removing constraints, raise an error if the constraint blocks do not exist in the pose (default=1).