| Safe Haskell | None |
|---|
Bio.PDB.Structure
- type String = ByteString
- vdot :: Vec3D -> Vec3D -> Double
- vnorm :: Vec3D -> Double
- vproj :: Vector3 -> Vector3 -> Vec3D
- vperpend :: Vec3D -> Vector3 -> Vec3D
- vperpends :: Vec3D -> [Vector3] -> Vec3D
- vdihedral :: Vec3D -> Vec3D -> Vec3D -> Double
- (*|) :: Double -> Vec3D -> Vec3D
- (|*) :: Vec3D -> Double -> Vec3D
- data Structure = Structure {}
- data Model = Model {}
- data Chain = Chain {}
- data Residue = Residue {}
- data Atom = Atom {}
Documentation
type String = ByteStringSource
We use only strict ByteString as strings in PDB parser.
vproj :: Vector3 -> Vector3 -> Vec3DSource
Finds a vector component of the first vector that is a projection onto direction of second vector.
vperpend :: Vec3D -> Vector3 -> Vec3DSource
Returns a component of the vector v that is perpendicular to w.
vperpends :: Vec3D -> [Vector3] -> Vec3DSource
Finds a component of the vector v that is perpendicular to all vectors in a list.
vdihedral :: Vec3D -> Vec3D -> Vec3D -> DoubleSource
Compute dihedral between three bond vectors using spherical angle formula.
(*|) :: Double -> Vec3D -> Vec3DSource
Scalar product. (* indicates side on which one can put a scalar.)
(|*) :: Vec3D -> Double -> Vec3DSource
Scalar product. (* indicates side on which one can put a scalar.)
Structure holds all data parsed from a single PDB entry
PDB entry may contain multiple models, with slight differences in coordinates etc.
Single linear polymer chain of protein, or nucleic acids
Residue groups all atoms assigned to the same aminoacid or nucleic acid base within a polymer chain.
Single atom position | NOTE: disordered atoms are now reported as multiplicates
Constructors
| Atom | |