graphein.construct_meshes

graphein.construct_meshes.ProteinMesh

class graphein.construct_meshes.ProteinMesh

__init__()

Initialise ProteinGraph Generator Class

create_mesh(pdb_code=None, pdb_file=None, out_dir=None)

Creates a PyTorch3D Mesh from an .Obj file. pdb_code and pdb_file are optional arguments. Use one as suits your purposes

Parameters

• pdb_code (str) – 4-character PDB accession code

• pdb_file (str) – Path to local .PDB file

• out_dir (str) – Path to output directory

Returns

verts, faces, aux

get_obj_file(pdb_file=None, pdb_code=None, out_dir=None)

Produces .Obj file from PDB structure through IPyMol. pdb_code and pdb_file are optional arguments. Use one as suits your purposes

Parameters

• pdb_file (str) – Path to local .PDB file

• pdb_code (str) – 4 character PDB accession code

• out_dir (str) – Path to output directory

Returns