scripting_documentation/RosettaScripts/xsd/rs_InterfaceByVector

Autogenerated Tag Syntax Documentation:

Measures an interface by creating two vectors.One vector is between Ca - to Cb of grp1 residues. Second vector is between Cb and Ca of residues in group 2. Using the angle_cut and dist_cut options, we take the dot product of both vectors, essentially creating a cone of grp1 residues and seeing if the interactions are within that cone. It should be noted that 1) GRP1 to GRP2 is slightly different than GRP2 to GRP1 2) before using the vector, we use the nearby_atom_cut to select nearby atoms as well. 3) this selector only functions on PROTEIN ResidueTypes (without checks). Use selectors that do not include non-PROTEIN-type residues (ligands, glycans, etc).

<InterfaceByVector name="(&string;)" cb_dist_cut="(11.0 &real;)"
        nearby_atom_cut="(5.5 &real;)" vector_angle_cut="(75.0 &real;)"
        vector_dist_cut="(9.0 &real;)" grp1_selector="(&string;)"
        grp2_selector="(&string;)" >
    <Residue Selector Tag ... />
</InterfaceByVector>

cb_dist_cut: Distance to cut using neighbor graph before doing other calculations.
nearby_atom_cut: Distance to include nearby atoms before using the vectors.
vector_angle_cut: The angle that defines a single side of the interaction cone
vector_dist_cut: Distance that defines the vector-vector distance
grp1_selector: First selector (creates cone). 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.
grp2_selector: Second selector. 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.

"Residue Selector Tag": Any of the ResidueSelectors

scripting_documentation/RosettaScripts/xsd/rs_InterfaceByVector_type