| Safe Haskell | None |
|---|---|
| Language | Haskell98 |
Bio.PDB.Structure
Description
Module defines all components of high-level data type description of PDB model.
- type String = ByteString
- vdot :: Vector3 -> Vector3 -> Double
- vnorm :: Vector3 -> Double
- vproj :: Vector3 -> Vector3 -> Vector3
- vperpend :: Vector3 -> Vector3 -> Vector3
- vperpends :: Foldable t => Vector3 -> t Vector3 -> Vector3
- vdihedral :: Vector3 -> Vector3 -> Vector3 -> Double
- (*|) :: Double -> Vector3 -> Vector3
- (|*) :: Vector3 -> Double -> Vector3
- data Structure = Structure {}
- data Model = Model {}
- data Chain = Chain {}
- data Residue = Residue {}
- data Atom = Atom {}
Documentation
type String = ByteString Source #
We use only strict ByteString as strings in PDB parser.
vproj :: Vector3 -> Vector3 -> Vector3 Source #
Finds a vector component of the first vector that is a projection onto direction of second vector.
vperpend :: Vector3 -> Vector3 -> Vector3 Source #
Returns a component of the vector v that is perpendicular to w.
vperpends :: Foldable t => Vector3 -> t Vector3 -> Vector3 Source #
Finds a component of the vector v that is perpendicular to all vectors in a list.
vdihedral :: Vector3 -> Vector3 -> Vector3 -> Double Source #
Compute dihedral between three bond vectors using spherical angle formula.
(*|) :: Double -> Vector3 -> Vector3 Source #
Scalar product. (asterisk - "*" - indicates side on which one can put a scalar.)
(|*) :: Vector3 -> Double -> Vector3 Source #
Scalar product. (asterisk - "*" - 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 | |