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Filter structures based on the geometry of helix pairings. The filter first determines the secondary structure of the pose, then uses that secondary structure to find helices. Relating helix pairing geometry, this filter provides three parameters, dist, cross, and align, and the structures of which parameters are "below" thresholds are filtered.
Pose secondary structure is determined by the following rules: 1. If secstruct is set, that is used as the pose secondary structure. 2. If use_dssp is true, DSSP is used to compute pose secondary structure, and this is used as the pose secondary structure. 3. If use_dssp is false, the secondary structure stored in the pose is directly used. Note that this secondary structure is not guaranteeed to match the contents of the pose unless it is properly set by a mover. It may be a string of 'L' or it may be spaces, or it may be something altogether different.
The secondary structure determined above is then used to find helices in the pose. The filter then searches for the desired helix pairings. Helix numbers in the pairings are found in the pose and these regions are analyzed.
If no helix pairings are given, this implies that all helix pairings are satisfied, and the filter returns true. If, however, helix pairings are given with helix numbers that do not exist in the pose, the filter returns false because something is likely to be wrong with the pose secondary structure.
<HelixPairing name="(&string)" secstruct="('' &string)" use_dssp="(false &bool)" blueprint="('' &string)" helix_pairings="('' &string)" dist="(15.0 &Real)" cross="(45.0 &Real)" align="(25.0 &Real)" bend="(20.0 &Real)" output_id="(1 &Integer)" output_type="('dist' &string)" />