1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
|
# ##### 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 : 2012-03-22
#
# 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
|
