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authorThomas Larsson <thomas_larsson_01@hotmail.com>2012-02-27 00:37:36 +0400
committerThomas Larsson <thomas_larsson_01@hotmail.com>2012-02-27 00:37:36 +0400
commita6adec9e1df98a194902be4dadf7f2a1e002da32 (patch)
tree9d018f059f615274189dacfb9128292e4cf4458a /io_mesh_pdb
parent556c86726b4f4fdb9c6ea7bbc424389508f85e0d (diff)
MHX importer: temporary commit for Bmesh. UV coordinates are ignored, but at least the script does not crash.
Diffstat (limited to 'io_mesh_pdb')
-rw-r--r--io_mesh_pdb/__init__.py43
-rw-r--r--io_mesh_pdb/atom_info.dat218
-rw-r--r--io_mesh_pdb/export_pdb.py109
-rw-r--r--io_mesh_pdb/import_pdb.py2
4 files changed, 257 insertions, 115 deletions
diff --git a/io_mesh_pdb/__init__.py b/io_mesh_pdb/__init__.py
index e079ff3d..a7552352 100644
--- a/io_mesh_pdb/__init__.py
+++ b/io_mesh_pdb/__init__.py
@@ -22,6 +22,7 @@ bl_info = {
"author": "Clemens Barth",
"version": (1,2),
"blender": (2,6),
+ "api": 31236,
"location": "File -> Import -> PDB (.pdb), Panel: View 3D - Tools",
"warning": "",
"wiki_url": "http://wiki.blender.org/index.php/Extensions:2.6/Py/Scripts/Import-Export/PDB",
@@ -32,7 +33,7 @@ bl_info = {
import bpy
from bpy.types import Operator, Panel
-from bpy_extras.io_utils import ImportHelper
+from bpy_extras.io_utils import ImportHelper, ExportHelper
from bpy.props import (StringProperty,
BoolProperty,
EnumProperty,
@@ -42,6 +43,8 @@ from bpy.props import (StringProperty,
# TODO, allow reload
from . import import_pdb
+from . import export_pdb
+
ATOM_PDB_ERROR = ""
@@ -234,7 +237,7 @@ class CLASS_atom_pdb_IO(bpy.types.PropertyGroup):
description="The sticks are round (sectors are not visible)")
scn.use_atom_pdb_sticks_bonds = BoolProperty(
name="Bonds", default=False,
- description="Show double and tripple bonds")
+ description="Show double and tripple bonds.")
scn.atom_pdb_sticks_dist = FloatProperty(
name="Distance", default = 1.1, min=1.0, max=3.0,
description="Distance between sticks measured in stick diameter")
@@ -596,6 +599,30 @@ class ImportPDB(Operator, ImportHelper):
return {'FINISHED'}
+
+# This is the class for the file dialog.
+class ExportPDB(Operator, ExportHelper):
+ bl_idname = "export_mesh.pdb"
+ bl_label = "Export Protein Data Bank(*.pdb)"
+
+ filename_ext = ".pdb"
+ filter_glob = StringProperty(default="*.pdb", options={'HIDDEN'},)
+
+ def draw(self, context):
+ layout = self.layout
+ scn = bpy.context.scene
+
+ def execute(self, context):
+ scn = bpy.context.scene
+
+ # This is in order to solve this strange 'relative path' thing.
+ export_pdb.ATOM_PDB_FILEPATH = bpy.path.abspath(self.filepath)
+ export_pdb.DEF_atom_pdb_export()
+
+ return {'FINISHED'}
+
+
+
class CLASS_atom_pdb_error_dialog(bpy.types.Operator):
bl_idname = "atom_pdb.error_dialog"
bl_label = "Attention !"
@@ -612,17 +639,23 @@ class CLASS_atom_pdb_error_dialog(bpy.types.Operator):
# The entry into the menu 'file -> import'
-def menu_func(self, context):
+def menu_func_import(self, context):
self.layout.operator(ImportPDB.bl_idname, text="Protein Data Bank (.pdb)")
+# The entry into the menu 'file -> export'
+def menu_func_export(self, context):
+ self.layout.operator(ExportPDB.bl_idname, text="Protein Data Bank (.pdb)")
+
def register():
bpy.utils.register_module(__name__)
- bpy.types.INFO_MT_file_import.append(menu_func)
+ bpy.types.INFO_MT_file_import.append(menu_func_import)
+ bpy.types.INFO_MT_file_export.append(menu_func_export)
def unregister():
bpy.utils.unregister_module(__name__)
- bpy.types.INFO_MT_file_import.remove(menu_func)
+ bpy.types.INFO_MT_file_import.remove(menu_func_import)
+ bpy.types.INFO_MT_file_export.remove(menu_func_export)
if __name__ == "__main__":
diff --git a/io_mesh_pdb/atom_info.dat b/io_mesh_pdb/atom_info.dat
index efd72f6f..5e00a5fb 100644
--- a/io_mesh_pdb/atom_info.dat
+++ b/io_mesh_pdb/atom_info.dat
@@ -3,7 +3,7 @@ Atom
Number : 1
Name : Hydrogen
Short name : H
-Color : 0.0,0.0,1.0
+Color : 0.99,0.99,0.99
Radius used : 0.320000
Radius, covalent : 0.320000
Radius, atomic : 0.790000
@@ -16,7 +16,7 @@ Atom
Number : 2
Name : Helium
Short name : He
-Color : 0.207843137255,0.56862745098,0.207843137255
+Color : 0.84,0.99,0.99
Radius used : 0.930000
Radius, covalent : 0.930000
Radius, atomic : 0.490000
@@ -27,7 +27,7 @@ Atom
Number : 3
Name : Lithium
Short name : Li
-Color : 0.729411764706,0.278431372549,0.254901960784
+Color : 0.79,0.5,0.99
Radius used : 1.230000
Radius, covalent : 1.230000
Radius, atomic : 2.050000
@@ -40,7 +40,7 @@ Atom
Number : 4
Name : Beryllium
Short name : Be
-Color : 0.447058823529,0.725490196078,0.309803921569
+Color : 0.75,0.99,0.0
Radius used : 0.900000
Radius, covalent : 0.900000
Radius, atomic : 1.400000
@@ -55,7 +55,7 @@ Atom
Number : 5
Name : Boron
Short name : B
-Color : 1.0,1.0,1.0
+Color : 0.99,0.70,0.70
Radius used : 0.820000
Radius, covalent : 0.820000
Radius, atomic : 1.170000
@@ -70,8 +70,8 @@ Atom
Number : 6
Name : Carbon
Short name : C
-Color : 0.0,0.0,0.0
-Radius used : 0.770000
+Color : 0.3,0.3,0.3
+Radius used : 0.910000
Radius, covalent : 0.770000
Radius, atomic : 0.910000
Charge state : -4
@@ -85,7 +85,7 @@ Atom
Number : 7
Name : Nitrogen
Short name : N
-Color : 0.0,0.0,1.0
+Color : 0.18,0.31,0.96
Radius used : 0.750000
Radius, covalent : 0.750000
Radius, atomic : 0.750000
@@ -104,7 +104,7 @@ Atom
Number : 8
Name : Oxygen
Short name : O
-Color : 1.0,0.0,0.0
+Color : 0.99,0.05,0.05
Radius used : 0.730000
Radius, covalent : 0.730000
Radius, atomic : 0.650000
@@ -124,7 +124,7 @@ Number : 9
Name : Fluorine
Short name : F
Color : 0.0,1.0,0.0
-Radius used : 0.720000
+Radius used : 1.330000
Radius, covalent : 0.720000
Radius, atomic : 0.570000
Charge state : -1
@@ -138,7 +138,7 @@ Atom
Number : 10
Name : Neon
Short name : Ne
-Color : 0.537254901961,0.607843137255,0.525490196078
+Color : 0.69,0.88,0.95
Radius used : 0.710000
Radius, covalent : 0.710000
Radius, atomic : 0.510000
@@ -151,8 +151,8 @@ Atom
Number : 11
Name : Sodium
Short name : Na
-Color : 0.0,0.0,1.0
-Radius used : 1.540000
+Color : 0.5,0.5,0.5
+Radius used : 0.970000
Radius, covalent : 1.540000
Radius, atomic : 2.230000
Charge state : 1
@@ -164,8 +164,8 @@ Atom
Number : 12
Name : Magnesium
Short name : Mg
-Color : 1.0,1.0,1.0
-Radius used : 1.360000
+Color : 0.38,0.066,1.0
+Radius used : 0.660000
Radius, covalent : 1.360000
Radius, atomic : 1.720000
Charge state : 1
@@ -179,7 +179,7 @@ Atom
Number : 13
Name : Aluminium
Short name : Al
-Color : 0.701960784314,0.2,0.623529411765
+Color : 0.74,0.64,0.64
Radius used : 1.180000
Radius, covalent : 1.180000
Radius, atomic : 1.820000
@@ -192,7 +192,7 @@ Atom
Number : 14
Name : Silicon
Short name : Si
-Color : 0.654901960784,0.647058823529,0.278431372549
+Color : 0.93,0.78,0.62
Radius used : 1.110000
Radius, covalent : 1.110000
Radius, atomic : 1.460000
@@ -211,7 +211,7 @@ Atom
Number : 15
Name : Phosphorus
Short name : P
-Color : 1.0,1.0,0.0
+Color : 0.99,0.5,0.0
Radius used : 1.060000
Radius, covalent : 1.060000
Radius, atomic : 1.230000
@@ -228,7 +228,7 @@ Atom
Number : 16
Name : Sulfur
Short name : S
-Color : 1.0,1.0,0.501960784314
+Color : 0.99,0.99,0.18
Radius used : 1.020000
Radius, covalent : 1.020000
Radius, atomic : 1.090000
@@ -247,8 +247,8 @@ Atom
Number : 17
Name : Chlorine
Short name : Cl
-Color : 0.0,1.0,0.0
-Radius used : 0.990000
+Color : 0.095,0.411,1.0
+Radius used : 1.810000
Radius, covalent : 0.990000
Radius, atomic : 0.970000
Charge state : -1
@@ -264,7 +264,7 @@ Atom
Number : 18
Name : Argon
Short name : Ar
-Color : 0.317647058824,0.329411764706,0.749019607843
+Color : 0.5,0.81,0.88
Radius used : 0.980000
Radius, covalent : 0.980000
Radius, atomic : 0.880000
@@ -277,7 +277,7 @@ Atom
Number : 19
Name : Potassium
Short name : K
-Color : 0.811764705882,0.239215686275,0.423529411765
+Color : 0.55,0.25,0.82
Radius used : 2.030000
Radius, covalent : 2.030000
Radius, atomic : 2.770000
@@ -290,7 +290,7 @@ Atom
Number : 20
Name : Calcium
Short name : Ca
-Color : 1.0,1.0,1.0
+Color : 0.23,0.99,0.0
Radius used : 1.740000
Radius, covalent : 1.740000
Radius, atomic : 2.230000
@@ -305,7 +305,7 @@ Atom
Number : 21
Name : Scandium
Short name : Sc
-Color : 0.662745098039,0.447058823529,0.313725490196
+Color : 0.89,0.89,0.89
Radius used : 1.440000
Radius, covalent : 1.440000
Radius, atomic : 2.090000
@@ -318,7 +318,7 @@ Atom
Number : 22
Name : Titanium
Short name : Ti
-Color : 0.270588235294,0.533333333333,0.686274509804
+Color : 0.74,0.75,0.77
Radius used : 1.320000
Radius, covalent : 1.320000
Radius, atomic : 2.000000
@@ -337,7 +337,7 @@ Atom
Number : 23
Name : Vanadium
Short name : V
-Color : 0.270588235294,0.243137254902,0.635294117647
+Color : 0.64,0.64,0.66
Radius used : 1.220000
Radius, covalent : 1.220000
Radius, atomic : 1.920000
@@ -356,7 +356,7 @@ Atom
Number : 24
Name : Chromium
Short name : Cr
-Color : 0.807843137255,0.286274509804,0.819607843137
+Color : 0.53,0.59,0.77
Radius used : 1.180000
Radius, covalent : 1.180000
Radius, atomic : 1.850000
@@ -375,7 +375,7 @@ Atom
Number : 25
Name : Manganese
Short name : Mn
-Color : 0.752941176471,0.352941176471,0.552941176471
+Color : 0.60,0.47,0.77
Radius used : 1.170000
Radius, covalent : 1.170000
Radius, atomic : 1.790000
@@ -394,7 +394,7 @@ Atom
Number : 26
Name : Iron
Short name : Fe
-Color : 1.0,0.0,0.0
+Color : 0.87,0.39,0.19
Radius used : 1.170000
Radius, covalent : 1.170000
Radius, atomic : 1.720000
@@ -409,7 +409,7 @@ Atom
Number : 27
Name : Cobalt
Short name : Co
-Color : 0.274509803922,0.219607843137,0.752941176471
+Color : 0.93,0.56,0.62
Radius used : 1.160000
Radius, covalent : 1.160000
Radius, atomic : 1.670000
@@ -424,7 +424,7 @@ Atom
Number : 28
Name : Nickel
Short name : Ni
-Color : 0.439215686275,0.360784313725,0.862745098039
+Color : 0.31,0.81,0.31
Radius used : 1.150000
Radius, covalent : 1.150000
Radius, atomic : 1.620000
@@ -437,7 +437,7 @@ Atom
Number : 29
Name : Copper
Short name : Cu
-Color : 0.607843137255,0.0,0.0
+Color : 0.78,0.5,0.19
Radius used : 1.170000
Radius, covalent : 1.170000
Radius, atomic : 1.570000
@@ -452,7 +452,7 @@ Atom
Number : 30
Name : Zinc
Short name : Zn
-Color : 0.423529411765,0.36862745098,0.450980392157
+Color : 0.48,0.5,0.68
Radius used : 1.250000
Radius, covalent : 1.250000
Radius, atomic : 1.530000
@@ -467,7 +467,7 @@ Atom
Number : 31
Name : Gallium
Short name : Ga
-Color : 0.635294117647,0.729411764706,0.337254901961
+Color : 0.75,0.55,0.55
Radius used : 1.260000
Radius, covalent : 1.260000
Radius, atomic : 1.810000
@@ -482,7 +482,7 @@ Atom
Number : 32
Name : Germanium
Short name : Ge
-Color : 0.423529411765,0.756862745098,0.301960784314
+Color : 0.39,0.55,0.55
Radius used : 1.220000
Radius, covalent : 1.220000
Radius, atomic : 1.520000
@@ -499,7 +499,7 @@ Atom
Number : 33
Name : Arsenic
Short name : As
-Color : 0.396078431373,0.776470588235,0.250980392157
+Color : 0.73,0.5,0.88
Radius used : 1.200000
Radius, covalent : 1.200000
Radius, atomic : 1.330000
@@ -516,7 +516,7 @@ Atom
Number : 34
Name : Selenium
Short name : Se
-Color : 0.952941176471,0.270588235294,0.905882352941
+Color : 0.99,0.62,0.0
Radius used : 1.160000
Radius, covalent : 1.160000
Radius, atomic : 1.220000
@@ -537,7 +537,7 @@ Atom
Number : 35
Name : Bromine
Short name : Br
-Color : 0.0,0.498039215686,0.0
+Color : 0.64,0.16,0.16
Radius used : 1.140000
Radius, covalent : 1.140000
Radius, atomic : 1.120000
@@ -554,7 +554,7 @@ Atom
Number : 36
Name : Krypton
Short name : Kr
-Color : 0.227450980392,0.435294117647,0.192156862745
+Color : 0.35,0.71,0.81
Radius used : 1.310000
Radius, covalent : 1.310000
Radius, atomic : 1.240000
@@ -565,7 +565,7 @@ Atom
Number : 37
Name : Rubidium
Short name : Rb
-Color : 1.0,1.0,1.0
+Color : 0.43,0.17,0.68
Radius used : 2.160000
Radius, covalent : 2.160000
Radius, atomic : 2.980000
@@ -578,7 +578,7 @@ Atom
Number : 38
Name : Strontium
Short name : Sr
-Color : 1.0,1.0,1.0
+Color : 0.0,0.99,0.0
Radius used : 1.910000
Radius, covalent : 1.910000
Radius, atomic : 2.450000
@@ -591,7 +591,7 @@ Atom
Number : 39
Name : Yttrium
Short name : Y
-Color : 1.0,1.0,1.0
+Color : 0.57,0.99,0.99
Radius used : 1.620000
Radius, covalent : 1.620000
Radius, atomic : 2.270000
@@ -604,7 +604,7 @@ Atom
Number : 40
Name : Zirconium
Short name : Zr
-Color : 1.0,1.0,1.0
+Color : 0.57,0.87,0.87
Radius used : 1.450000
Radius, covalent : 1.450000
Radius, atomic : 2.160000
@@ -619,7 +619,7 @@ Atom
Number : 41
Name : Niobium
Short name : Nb
-Color : 1.0,1.0,1.0
+Color : 0.44,0.75,0.78
Radius used : 1.340000
Radius, covalent : 1.340000
Radius, atomic : 2.080000
@@ -636,7 +636,7 @@ Atom
Number : 42
Name : Molybdenum
Short name : Mo
-Color : 1.0,1.0,1.0
+Color : 0.32,0.70,0.70
Radius used : 1.300000
Radius, covalent : 1.300000
Radius, atomic : 2.010000
@@ -653,7 +653,7 @@ Atom
Number : 43
Name : Technetium
Short name : Tc
-Color : 1.0,1.0,1.0
+Color : 0.23,0.61,0.61
Radius used : 1.270000
Radius, covalent : 1.270000
Radius, atomic : 1.950000
@@ -666,7 +666,7 @@ Atom
Number : 44
Name : Ruthenium
Short name : Ru
-Color : 1.0,1.0,1.0
+Color : 0.14,0.55,0.55
Radius used : 1.250000
Radius, covalent : 1.250000
Radius, atomic : 1.890000
@@ -679,7 +679,7 @@ Atom
Number : 45
Name : Rhodium
Short name : Rh
-Color : 1.0,1.0,1.0
+Color : 0.03,0.48,0.54
Radius used : 1.250000
Radius, covalent : 1.250000
Radius, atomic : 1.830000
@@ -692,7 +692,7 @@ Atom
Number : 46
Name : Palladium
Short name : Pd
-Color : 1.0,1.0,1.0
+Color : 0.0,0.41,0.51
Radius used : 1.280000
Radius, covalent : 1.280000
Radius, atomic : 1.790000
@@ -707,7 +707,7 @@ Atom
Number : 47
Name : Silver
Short name : Ag
-Color : 1.0,1.0,1.0
+Color : 0.75,0.75,0.75
Radius used : 1.340000
Radius, covalent : 1.340000
Radius, atomic : 1.750000
@@ -722,7 +722,7 @@ Atom
Number : 48
Name : Cadmium
Short name : Cd
-Color : 1.0,1.0,1.0
+Color : 0.99,0.84,0.55
Radius used : 1.480000
Radius, covalent : 1.480000
Radius, atomic : 1.710000
@@ -737,7 +737,7 @@ Atom
Number : 49
Name : Indium
Short name : In
-Color : 1.0,1.0,1.0
+Color : 0.64,0.45,0.44
Radius used : 1.440000
Radius, covalent : 1.440000
Radius, atomic : 2.000000
@@ -750,7 +750,7 @@ Atom
Number : 50
Name : Tin
Short name : Sn
-Color : 1.0,1.0,1.0
+Color : 0.39,0.5,0.5
Radius used : 1.410000
Radius, covalent : 1.410000
Radius, atomic : 1.720000
@@ -769,7 +769,7 @@ Atom
Number : 51
Name : Antimony
Short name : Sb
-Color : 1.0,1.0,1.0
+Color : 0.61,0.38,0.70
Radius used : 1.400000
Radius, covalent : 1.400000
Radius, atomic : 1.530000
@@ -786,7 +786,7 @@ Atom
Number : 52
Name : Tellurium
Short name : Te
-Color : 1.0,1.0,1.0
+Color : 0.82,0.47,0.0
Radius used : 1.360000
Radius, covalent : 1.360000
Radius, atomic : 1.420000
@@ -807,7 +807,7 @@ Atom
Number : 53
Name : Iodine
Short name : I
-Color : 0.0,0.498039215686,0.498039215686
+Color : 0.57,0.0,0.57
Radius used : 1.330000
Radius, covalent : 1.330000
Radius, atomic : 1.320000
@@ -824,7 +824,7 @@ Atom
Number : 54
Name : Xenon
Short name : Xe
-Color : 1.0,1.0,1.0
+Color : 0.25,0.61,0.68
Radius used : 1.310000
Radius, covalent : 1.310000
Radius, atomic : 1.240000
@@ -835,7 +835,7 @@ Atom
Number : 55
Name : Caesium
Short name : Cs
-Color : 1.0,1.0,1.0
+Color : 0.33,0.08,0.55
Radius used : 2.350000
Radius, covalent : 2.350000
Radius, atomic : 3.350000
@@ -848,7 +848,7 @@ Atom
Number : 56
Name : Barium
Short name : Ba
-Color : 1.0,1.0,1.0
+Color : 0.0,0.78,0.0
Radius used : 1.980000
Radius, covalent : 1.980000
Radius, atomic : 2.780000
@@ -863,7 +863,7 @@ Atom
Number : 57
Name : Lanthanum
Short name : La
-Color : 1.0,1.0,1.0
+Color : 0.43,0.82,0.99
Radius used : 1.690000
Radius, covalent : 1.690000
Radius, atomic : 2.740000
@@ -878,7 +878,7 @@ Atom
Number : 58
Name : Cerium
Short name : Ce
-Color : 1.0,1.0,1.0
+Color : 0.99,0.99,0.77
Radius used : 1.650000
Radius, covalent : 1.650000
Radius, atomic : 2.700000
@@ -895,7 +895,7 @@ Atom
Number : 59
Name : Praseodymium
Short name : Pr
-Color : 1.0,1.0,1.0
+Color : 0.84,0.99,0.77
Radius used : 1.650000
Radius, covalent : 1.650000
Radius, atomic : 2.670000
@@ -910,7 +910,7 @@ Atom
Number : 60
Name : Neodymium
Short name : Nd
-Color : 1.0,1.0,1.0
+Color : 0.77,0.99,0.77
Radius used : 1.640000
Radius, covalent : 1.640000
Radius, atomic : 2.640000
@@ -923,7 +923,7 @@ Atom
Number : 61
Name : Promethium
Short name : Pm
-Color : 1.0,1.0,1.0
+Color : 0.63,0.99,0.77
Radius used : 1.630000
Radius, covalent : 1.630000
Radius, atomic : 2.620000
@@ -936,7 +936,7 @@ Atom
Number : 62
Name : Samarium
Short name : Sm
-Color : 1.0,1.0,1.0
+Color : 0.55,0.99,0.77
Radius used : 1.620000
Radius, covalent : 1.620000
Radius, atomic : 2.590000
@@ -949,7 +949,7 @@ Atom
Number : 63
Name : Europium
Short name : Eu
-Color : 1.0,1.0,1.0
+Color : 0.37,0.99,0.77
Radius used : 1.850000
Radius, covalent : 1.850000
Radius, atomic : 2.560000
@@ -964,7 +964,7 @@ Atom
Number : 64
Name : Gadolinium
Short name : Gd
-Color : 1.0,1.0,1.0
+Color : 0.26,0.99,0.77
Radius used : 1.610000
Radius, covalent : 1.610000
Radius, atomic : 2.540000
@@ -977,7 +977,7 @@ Atom
Number : 65
Name : Terbium
Short name : Tb
-Color : 1.0,1.0,1.0
+Color : 0.18,0.99,0.77
Radius used : 1.590000
Radius, covalent : 1.590000
Radius, atomic : 2.510000
@@ -992,7 +992,7 @@ Atom
Number : 66
Name : Dysprosium
Short name : Dy
-Color : 1.0,1.0,1.0
+Color : 0.12,0.99,0.77
Radius used : 1.590000
Radius, covalent : 1.590000
Radius, atomic : 2.490000
@@ -1005,7 +1005,7 @@ Atom
Number : 67
Name : Holmium
Short name : Ho
-Color : 1.0,1.0,1.0
+Color : 0.0,0.99,0.60
Radius used : 1.580000
Radius, covalent : 1.580000
Radius, atomic : 2.470000
@@ -1018,7 +1018,7 @@ Atom
Number : 68
Name : Erbium
Short name : Er
-Color : 0.482352941176,0.482352941176,0.482352941176
+Color : 0.0,0.89,0.45
Radius used : 1.570000
Radius, covalent : 1.570000
Radius, atomic : 2.450000
@@ -1031,7 +1031,7 @@ Atom
Number : 69
Name : Thulium
Short name : Tm
-Color : 1.0,1.0,1.0
+Color : 0.0,0.82,0.32
Radius used : 1.560000
Radius, covalent : 1.560000
Radius, atomic : 2.420000
@@ -1044,7 +1044,7 @@ Atom
Number : 70
Name : Ytterbium
Short name : Yb
-Color : 1.0,1.0,1.0
+Color : 0.0,0.74,0.21
Radius used : 1.740000
Radius, covalent : 1.740000
Radius, atomic : 2.400000
@@ -1059,7 +1059,7 @@ Atom
Number : 71
Name : Lutetium
Short name : Lu
-Color : 1.0,1.0,1.0
+Color : 0.0,0.66,0.14
Radius used : 1.560000
Radius, covalent : 1.560000
Radius, atomic : 2.250000
@@ -1072,7 +1072,7 @@ Atom
Number : 72
Name : Hafnium
Short name : Hf
-Color : 1.0,1.0,1.0
+Color : 0.30,0.75,0.99
Radius used : 1.440000
Radius, covalent : 1.440000
Radius, atomic : 2.160000
@@ -1085,7 +1085,7 @@ Atom
Number : 73
Name : Tantalum
Short name : Ta
-Color : 1.0,1.0,1.0
+Color : 0.30,0.64,0.99
Radius used : 1.340000
Radius, covalent : 1.340000
Radius, atomic : 2.090000
@@ -1098,7 +1098,7 @@ Atom
Number : 74
Name : Tungsten
Short name : W
-Color : 1.0,1.0,1.0
+Color : 0.12,0.57,0.83
Radius used : 1.300000
Radius, covalent : 1.300000
Radius, atomic : 2.020000
@@ -1113,7 +1113,7 @@ Atom
Number : 75
Name : Rhenium
Short name : Re
-Color : 1.0,1.0,1.0
+Color : 0.14,0.48,0.66
Radius used : 1.280000
Radius, covalent : 1.280000
Radius, atomic : 1.970000
@@ -1128,7 +1128,7 @@ Atom
Number : 76
Name : Osmium
Short name : Os
-Color : 1.0,1.0,1.0
+Color : 0.14,0.39,0.58
Radius used : 1.260000
Radius, covalent : 1.260000
Radius, atomic : 1.920000
@@ -1143,7 +1143,7 @@ Atom
Number : 77
Name : Iridium
Short name : Ir
-Color : 1.0,1.0,1.0
+Color : 0.08,0.32,0.52
Radius used : 1.270000
Radius, covalent : 1.270000
Radius, atomic : 1.870000
@@ -1156,7 +1156,7 @@ Atom
Number : 78
Name : Platinium
Short name : Pt
-Color : 1.0,1.0,1.0
+Color : 0.81,0.81,0.87
Radius used : 1.300000
Radius, covalent : 1.300000
Radius, atomic : 1.830000
@@ -1171,7 +1171,7 @@ Atom
Number : 79
Name : Gold
Short name : Au
-Color : 1.0,1.0,1.0
+Color : 0.99,0.81,0.13
Radius used : 1.340000
Radius, covalent : 1.340000
Radius, atomic : 1.790000
@@ -1186,7 +1186,7 @@ Atom
Number : 80
Name : Mercury
Short name : Hg
-Color : 1.0,1.0,1.0
+Color : 0.71,0.71,0.81
Radius used : 1.490000
Radius, covalent : 1.490000
Radius, atomic : 1.760000
@@ -1201,7 +1201,7 @@ Atom
Number : 81
Name : Thallium
Short name : Tl
-Color : 1.0,1.0,1.0
+Color : 0.64,0.32,0.30
Radius used : 1.480000
Radius, covalent : 1.480000
Radius, atomic : 2.080000
@@ -1216,7 +1216,7 @@ Atom
Number : 82
Name : Lead
Short name : Pb
-Color : 0.498039215686,0.498039215686,0.498039215686
+Color : 0.33,0.34,0.37
Radius used : 1.470000
Radius, covalent : 1.470000
Radius, atomic : 1.810000
@@ -1231,7 +1231,7 @@ Atom
Number : 83
Name : Bismuth
Short name : Bi
-Color : 1.0,1.0,1.0
+Color : 0.61,0.30,0.70
Radius used : 1.460000
Radius, covalent : 1.460000
Radius, atomic : 1.630000
@@ -1248,7 +1248,7 @@ Atom
Number : 84
Name : Polonium
Short name : Po
-Color : 1.0,1.0,1.0
+Color : 0.66,0.35,0.0
Radius used : 1.460000
Radius, covalent : 1.460000
Radius, atomic : 1.530000
@@ -1261,7 +1261,7 @@ Atom
Number : 85
Name : Astatine
Short name : At
-Color : 1.0,1.0,1.0
+Color : 0.45,0.30,0.26
Radius used : 1.450000
Radius, covalent : 1.450000
Radius, atomic : 1.430000
@@ -1278,7 +1278,7 @@ Atom
Number : 86
Name : Radon
Short name : Rn
-Color : 1.0,1.0,1.0
+Color : 0.25,0.50,0.58
Radius used : 1.000000
Radius, covalent : 1.000000
Radius, atomic : 1.340000
@@ -1289,7 +1289,7 @@ Atom
Number : 87
Name : Francium
Short name : Fr
-Color : 1.0,1.0,1.0
+Color : 0.25,0.0,0.39
Radius used : 1.000000
Radius, covalent : 1.000000
Radius, atomic : 1.000000
@@ -1302,7 +1302,7 @@ Atom
Number : 88
Name : Radium
Short name : Ra
-Color : 1.0,1.0,1.0
+Color : 0.0,0.48,0.0
Radius used : 1.000000
Radius, covalent : 1.000000
Radius, atomic : 1.000000
@@ -1315,7 +1315,7 @@ Atom
Number : 89
Name : Actinium
Short name : Ac
-Color : 1.0,1.0,1.0
+Color : 0.43,0.66,0.97
Radius used : 1.000000
Radius, covalent : 1.000000
Radius, atomic : 1.000000
@@ -1328,7 +1328,7 @@ Atom
Number : 90
Name : Thorium
Short name : Th
-Color : 1.0,1.0,1.0
+Color : 0.0,0.72,0.99
Radius used : 1.650000
Radius, covalent : 1.650000
Radius, atomic : 1.000000
@@ -1341,7 +1341,7 @@ Atom
Number : 91
Name : Protactinium
Short name : Pa
-Color : 1.0,1.0,1.0
+Color : 0.0,0.62,0.99
Radius used : 1.000000
Radius, covalent : 1.000000
Radius, atomic : 1.000000
@@ -1358,7 +1358,7 @@ Atom
Number : 92
Name : Uranium
Short name : U
-Color : 1.0,1.0,1.0
+Color : 0.0,0.55,0.99
Radius used : 1.420000
Radius, covalent : 1.420000
Radius, atomic : 1.000000
@@ -1373,7 +1373,7 @@ Atom
Number : 93
Name : Neptunium
Short name : Np
-Color : 1.0,1.0,1.0
+Color : 0.0,0.5,0.99
Radius used : 1.000000
Radius, covalent : 1.000000
Radius, atomic : 1.000000
@@ -1390,7 +1390,7 @@ Atom
Number : 94
Name : Plutonium
Short name : Pu
-Color : 1.0,1.0,1.0
+Color : 0.0,0.41,0.99
Radius used : 1.000000
Radius, covalent : 1.000000
Radius, atomic : 1.000000
@@ -1405,7 +1405,7 @@ Atom
Number : 95
Name : Americium
Short name : Am
-Color : 1.0,1.0,1.0
+Color : 0.32,0.35,0.94
Radius used : 1.000000
Radius, covalent : 1.000000
Radius, atomic : 1.000000
@@ -1420,7 +1420,7 @@ Atom
Number : 96
Name : Curium
Short name : Cm
-Color : 1.0,1.0,1.0
+Color : 0.46,0.35,0.88
Radius used : 1.000000
Radius, covalent : 1.000000
Radius, atomic : 1.000000
@@ -1431,7 +1431,7 @@ Atom
Number : 97
Name : Berkelium
Short name : Bk
-Color : 1.0,1.0,1.0
+Color : 0.53,0.30,0.88
Radius used : 1.000000
Radius, covalent : 1.000000
Radius, atomic : 1.000000
@@ -1442,7 +1442,7 @@ Atom
Number : 98
Name : Californium
Short name : Cf
-Color : 1.0,1.0,1.0
+Color : 0.62,0.21,0.82
Radius used : 1.000000
Radius, covalent : 1.000000
Radius, atomic : 1.000000
@@ -1453,7 +1453,7 @@ Atom
Number : 99
Name : Einsteinium
Short name : Es
-Color : 1.0,1.0,1.0
+Color : 0.69,0.12,0.82
Radius used : 1.000000
Radius, covalent : 1.000000
Radius, atomic : 1.000000
@@ -1464,7 +1464,7 @@ Atom
Number : 100
Name : Fermium
Short name : Fm
-Color : 1.0,1.0,1.0
+Color : 0.69,0.12,0.72
Radius used : 1.000000
Radius, covalent : 1.000000
Radius, atomic : 1.000000
@@ -1475,7 +1475,7 @@ Atom
Number : 101
Name : Mendelevium
Short name : Md
-Color : 1.0,1.0,1.0
+Color : 0.69,0.05,0.64
Radius used : 1.000000
Radius, covalent : 1.000000
Radius, atomic : 1.000000
@@ -1486,7 +1486,7 @@ Atom
Number : 102
Name : Nobelium
Short name : No
-Color : 1.0,1.0,1.0
+Color : 0.73,0.05,0.52
Radius used : 1.000000
Radius, covalent : 1.000000
Radius, atomic : 1.000000
@@ -1497,7 +1497,7 @@ Atom
Number : 103
Name : Lawrencium
Short name : Lr
-Color : 1.0,1.0,1.0
+Color : 0.77,0.0,0.39
Radius used : 1.000000
Radius, covalent : 1.000000
Radius, atomic : 1.000000
@@ -1509,7 +1509,7 @@ Number : 104
Name : Vacancy
Short name : Vac
Color : 0.5,0.5,0.5
-Radius used : 1.0
+Radius used : 1.2
Radius, covalent : 1.0
Radius, atomic : 1.0
@@ -1519,7 +1519,7 @@ Atom
Number : 105
Name : Default
Short name : Default
-Color : 1.0,1.0,1.0
+Color : 0.5,0.5,0.5
Radius used : 1.0
Radius, covalent : 1.0
Radius, atomic : 1.0
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
diff --git a/io_mesh_pdb/import_pdb.py b/io_mesh_pdb/import_pdb.py
index bc9c0605..2491d4fc 100644
--- a/io_mesh_pdb/import_pdb.py
+++ b/io_mesh_pdb/import_pdb.py
@@ -25,7 +25,7 @@
#
# Start of project : 2011-08-31 by Clemens Barth
# First publication in Blender : 2011-11-11
-# Last modified : 2012-02-07
+# Last modified : 2012-02-27
#
# Acknowledgements: Thanks to ideasman, meta_androcto, truman, kilon,
# dairin0d, PKHG, Valter, etc
generated by cgit v1.2.3 (git 2.25.1) at 2024-06-25 09:46:48 +0300