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Diffstat (limited to 'io_mesh_pdb/export_pdb.py')
-rw-r--r-- | io_mesh_pdb/export_pdb.py | 109 |
1 files changed, 109 insertions, 0 deletions
diff --git a/io_mesh_pdb/export_pdb.py b/io_mesh_pdb/export_pdb.py new file mode 100644 index 00000000..22d1f015 --- /dev/null +++ b/io_mesh_pdb/export_pdb.py @@ -0,0 +1,109 @@ +# ##### 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 : 2012-02-27 +# +# 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(): + + list_atoms = [] + for obj in bpy.context.selected_objects: + + if "Stick" in obj.name: + continue + + if obj.type != "SURFACE" and obj.type != "MESH": + continue + + for element in import_pdb.ATOM_PDB_ELEMENTS: + if element.name in obj.name: + if element.short_name == "Vac": + name = "X" + else: + name = element.short_name + + 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 |