# SPDX-License-Identifier: GPL-2.0-or-later import bpy from io_mesh_atomic.pdb_import import ELEMENTS_DEFAULT class AtomPropExport(object): __slots__ = ('element', 'location') def __init__(self, element, location): self.element = element self.location = location def export_pdb(obj_type, filepath_pdb): list_atoms = [] for obj in bpy.context.selected_objects: if "STICK" in obj.name.upper(): continue if obj.type not in {'MESH', 'SURFACE', 'META'}: continue name = "" for element in ELEMENTS_DEFAULT: if element[1] in obj.name: if element[2] == "Vac": name = "X" else: name = element[2] if name == "": if obj_type == "0": name = "?" else: continue if len(obj.children) != 0: for vertex in obj.data.vertices: location = obj.matrix_world @ vertex.co list_atoms.append(AtomPropExport(name, location)) else: if not obj.parent: location = obj.location list_atoms.append(AtomPropExport(name, location)) pdb_file_p = open(filepath_pdb, "w") pdb_file_p.write("REMARK This pdb file has been created with Blender " "and the addon Atomic Blender - PDB\n" "REMARK For more details see the wiki pages of Blender.\n" "REMARK\n" "REMARK\n") for i, atom in enumerate(list_atoms): string = "ATOM %6d%3s%24.3f%8.3f%8.3f%6.2f%6.2f%12s\n" % ( i, atom.element, atom.location[0], atom.location[1], atom.location[2], 1.00, 1.00, atom.element) pdb_file_p.write(string) pdb_file_p.close() return True