sasa.bend checks

raw source on the hub · import 0xdf198d67659100c90a58ecd6b01d034d/sasa.bend as Sasa

4 imports

import Base
import ./geom.bend as G
import ./protein.bend as P
import ./topology.bend as T

Definitions

def sasa_offsets source · line 14 · raw

List<&2, 0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3>

def occ_go source · line 17 · raw

@same:Bool -> @+pos:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @+pt:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @+rc2:F32 -> Bool

def occ_head source · line 24 · raw

@h:0xdf198d67659100c90a58ecd6b01d034d/protein.Atom -> @+pt:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @+rc2:F32 -> @skip:U32 -> Bool

def has_other_close source · line 30 · raw

@xs:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> @+pt:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @+rc2:F32 -> @+skip:U32 -> Bool

Any atom but skip within rc2 of the sample point occludes it.

def sasa_pt source · line 39 · raw

@+c:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @+o:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @+rad:F32 -> @+ys:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> @+rc2:F32 -> @+skip:U32 -> Nat

def sasa_cover source · line 45 · raw

@+c:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @+offs:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3> -> @+rad:F32 -> @+ys:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> @+rc2:F32 -> @+skip:U32 -> Nat

def sasa_of_atom source · line 55 · raw

@h:0xdf198d67659100c90a58ecd6b01d034d/protein.Atom -> @+offs:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3> -> @+rad:F32 -> @+ys:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> @+rc2:F32 -> @+area_pt:F32 -> F32

def sasa_all source · line 63 · raw

@xs:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> @+offs:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3> -> @+rad:F32 -> @+ys:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> @+rc2:F32 -> @+area_pt:F32 -> List<&2, F32>

def sasa_of source · line 73 · raw

@+xs:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> @+rad:F32 -> @+rc2:F32 -> @+area_pt:F32 -> List<&2, F32>

def sasa_total source · line 79 · raw

@areas:List<&2, F32> -> F32

Total area: sum of per-atom areas.