Autogenerated Tag Syntax Documentation:


Filter based on the C-alpha RMSD to a reference structure. ResiduesSelectors can be applied to both reference and query poses.

<RmsdFromResidueSelectorFilter name="(&string;)" CA_only="(1 &bool;)"
        use_gdt="(0 &bool;)" superimpose="(1 &bool;)"
        count_residues="(1 &bool;)" threshold="(5.000000 &real;)"
        reference_name="(&string;)" reference_selector="(&string;)"
        query_selector="(&string;)" confidence="(1.0 &real;)" />
  • CA_only: When selected, use only CA RMSD
  • use_gdt: When selected, use GDTm algorithm
  • superimpose: Superimpose before evaluation
  • count_residues: When true (default; recomended) enforce the same number of residues for both query and reference.
  • threshold: Threshold in RMSD above which the filter fails
  • reference_name: Name of reference pose to use
  • reference_selector: (REQUIRED) Selector specifying residues to take into account in the reference pose
  • query_selector: (REQUIRED) Selector specifying residues to take into account in the query pose
  • confidence: Probability that the pose will be filtered out if it does not pass this Filter

Calculates RMSD over a user-specified set of residues for both the query and the reference pose.
RMSD evaluation is performed with the SelectRMSDEvaluator; GDT evaluation is carried out with the SelectGDTEvaluator.

Selectors applied to reference and query can be different, but by default they cover the same number of residues unless count_residues is set to false. If two TrueSelectors are applied, it will work as a regular RMSD filter.

By default, the RMSD will be calculated to the input pose (pose at parse time). Use -in:file:native \<filename\> or reference_name= to choose an alternate reference pose.