# ##### BEGIN GPL LICENSE BLOCK ##### # # This program is free software; you can redistribute it and/or # modify it under the terms of the GNU General Public License # as published by the Free Software Foundation; either version 2 # of the License, or (at your option) any later version. # # This program is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU General Public License for more details. # # You should have received a copy of the GNU General Public License # along with this program; if not, write to the Free Software Foundation, # Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. # # ##### END GPL LICENSE BLOCK ##### # # # Authors : Clemens Barth (Blendphys@root-1.de), ... # # Homepage(Wiki) : http://development.root-1.de/Atomic_Blender.php # Tracker : http://projects.blender.org/tracker/index.php?func=detail&aid=29226&group_id=153&atid=467 # # Start of project : 2011-08-31 by Clemens Barth # First publication in Blender : 2011-11-11 # Last modified : 2012-03-09 # # Acknowledgements: Thanks to ideasman, meta_androcto, truman, kilon, # dairin0d, PKHG, Valter, etc # import bpy import io import math import os import copy from math import pi, cos, sin from mathutils import Vector, Matrix from copy import copy from . import import_pdb ATOM_PDB_FILEPATH = "" ATOM_PDB_PDBTEXT = ( "REMARK This pdb file has been created with Blender " + "and the Atomic Blender script\n" + "REMARK For more details see wiki.blender.org/index.php/Extensions:2.6/Py/Scripts/Import-Export/PDB\n" + "REMARK\n" + "REMARK\n") class CLASS_atom_pdb_atoms_export(object): __slots__ = ('element', 'location') def __init__(self, element, location): self.element = element self.location = location def DEF_atom_pdb_export(obj_type): list_atoms = [] for obj in bpy.context.selected_objects: if "Stick" in obj.name: continue if obj.type != "SURFACE" and obj.type != "MESH": continue name = "" for element in import_pdb.ATOM_PDB_ELEMENTS_DEFAULT: if element[1] in obj.name: if element[2] == "Vac": name = "X" else: name = element[2] elif element[1][:3] 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: list_atoms.append(CLASS_atom_pdb_atoms_export( name, obj.location+vertex.co)) else: if not obj.parent: list_atoms.append(CLASS_atom_pdb_atoms_export( name, obj.location)) pdb_file_p = open(ATOM_PDB_FILEPATH, "w") pdb_file_p.write(ATOM_PDB_PDBTEXT) 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