Releases
v0.1.0
Release notes:
Added Backbone{N}
type for storing coordinates of atoms in a backbone with N
atoms per residue.
Added constructors for creating a backbone from residue locations and rotation matrices or quaternions
Added locs_and_rots
function for converting backbone to locations of residues and their rotation_matrices.
Added add_oxygens
function for estimating the oxygen positions in a backbone, based on the N, CA, and C positions.
Added Chain
type for wrapping a backbone with additional information such as chain name and secondary structure.
Added Protein
type for wrapping a vector of chains and allowing for accessing chains by name instead of just index in vector.
Added SecondaryStructure
type with singleton instances Loop, Helix, and Strand for filling secondary structure vectors of chains.
Added assign_secondary_structure!
function for assigning secondary structure to the chains of a protein.
Added IO functions for reading PDB files and loading them into proteins, and vice versa.
Added atom_coord_matrix
function for getting all coordinates of a certain atom in a backbone.
You can’t perform that action at this time.