DLProteinFormats

Installation

using Pkg
Pkg.Registry.add("https://github.com/MurrellGroup/MurrellGroupRegistry")
Pkg.add("DLProteinFormats")

Quickstart

using DLProteinFormats

data = DLProteinFormats.load(PDBSimpleFlat500);

flat_chains = data[1];

chains = DLProteinFormats.unflatten(
    flat_chains.locs,
    flat_chains.rots,
    flat_chains.AAs,
    flat_chains.chainids,
    flat_chains.resinds)

DLProteinFormats.writepdb("chains-1.pdb", chains) # view in e.g. chimerax or vscode protein viewer extension