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 (Use the SavePoseMover to create a reference pose)
  • reference_selector: (REQUIRED) Selector specifying residues to take into account in the reference pose The name of a previously declared residue selector or a logical expression of AND, NOT (!), OR, parentheses, and the names of previously declared residue selectors. Any capitalization of AND, NOT, and OR is accepted. An exclamation mark can be used instead of NOT. Boolean operators have their traditional priorities: NOT then AND then OR. For example, if selectors s1, s2, and s3 have been declared, you could write: 's1 or s2 and not s3' which would select a particular residue if that residue were selected by s1 or if it were selected by s2 but not by s3.
  • query_selector: (REQUIRED) Selector specifying residues to take into account in the query pose The name of a previously declared residue selector or a logical expression of AND, NOT (!), OR, parentheses, and the names of previously declared residue selectors. Any capitalization of AND, NOT, and OR is accepted. An exclamation mark can be used instead of NOT. Boolean operators have their traditional priorities: NOT then AND then OR. For example, if selectors s1, s2, and s3 have been declared, you could write: 's1 or s2 and not s3' which would select a particular residue if that residue were selected by s1 or if it were selected by s2 but not by s3.
  • 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.