[Bf-extensions-cvs] SVN commit: /data/svn/bf-extensions [2607] contrib/py/scripts/addons/ io_import_pdb_atomic_blender.dat: This is the data file for the script: io_import_pdb_atomic_blender.py

Clemens Barth barth at root-1.de
Sun Nov 13 16:38:21 CET 2011


Revision: 2607
          http://projects.blender.org/scm/viewvc.php?view=rev&root=bf-extensions&revision=2607
Author:   blendphys
Date:     2011-11-13 15:38:21 +0000 (Sun, 13 Nov 2011)
Log Message:
-----------
This is the data file for the script: io_import_pdb_atomic_blender.py

Added Paths:
-----------
    contrib/py/scripts/addons/io_import_pdb_atomic_blender.dat

Added: contrib/py/scripts/addons/io_import_pdb_atomic_blender.dat
===================================================================
--- contrib/py/scripts/addons/io_import_pdb_atomic_blender.dat	                        (rev 0)
+++ contrib/py/scripts/addons/io_import_pdb_atomic_blender.dat	2011-11-13 15:38:21 UTC (rev 2607)
@@ -0,0 +1,1415 @@
+Atom
+====
+Number           : 1
+Name             : Hydrogen
+Short name       : H
+Color            : 0.0,0.0,1.0
+Radius used      : 0.320000
+Radius, covalent : 0.320000
+Radius, atomic   : 0.790000
+Charge state     : -1
+Radius, ionic    : 1.540000
+
+
+Atom
+====
+Number           : 2
+Name             : Helium
+Short name       : He
+Color            : 0.207843137255,0.56862745098,0.207843137255
+Radius used      : 0.930000
+Radius, covalent : 0.930000
+Radius, atomic   : 0.490000
+Charge state     : 1
+Radius, ionic    : 0.680000
+
+
+Atom
+====
+Number           : 3
+Name             : Beryllium
+Short name       : Be
+Color            : 0.447058823529,0.725490196078,0.309803921569
+Radius used      : 0.900000
+Radius, covalent : 0.900000
+Radius, atomic   : 1.400000
+Charge state     : 1
+Radius, ionic    : 0.440000
+Charge state     : 2
+Radius, ionic    : 0.350000
+
+
+Atom
+====
+Number           : 4
+Name             : Boron
+Short name       : B
+Color            : 1.0,1.0,1.0
+Radius used      : 0.820000
+Radius, covalent : 0.820000
+Radius, atomic   : 1.170000
+Charge state     : 1
+Radius, ionic    : 0.350000
+Charge state     : 3
+Radius, ionic    : 0.230000
+
+
+Atom
+====
+Number           : 5
+Name             : Carbon
+Short name       : C
+Color            : 0.0,0.0,0.0
+Radius used      : 0.770000
+Radius, covalent : 0.770000
+Radius, atomic   : 0.910000
+Charge state     : -4
+Radius, ionic    : 2.600000
+Charge state     : 4
+Radius, ionic    : 0.160000
+
+
+Atom
+====
+Number           : 6
+Name             : Nitrogen
+Short name       : N
+Color            : 0.0,0.0,1.0
+Radius used      : 0.750000
+Radius, covalent : 0.750000
+Radius, atomic   : 0.750000
+Charge state     : -3
+Radius, ionic    : 1.710000
+Charge state     : 1
+Radius, ionic    : 0.250000
+Charge state     : 3
+Radius, ionic    : 0.160000
+Charge state     : 5
+Radius, ionic    : 0.130000
+
+
+Atom
+====
+Number           : 7
+Name             : Oxygen
+Short name       : O
+Color            : 1.0,0.0,0.0
+Radius used      : 0.730000
+Radius, covalent : 0.730000
+Radius, atomic   : 0.650000
+Charge state     : -2
+Radius, ionic    : 1.320000
+Charge state     : -1
+Radius, ionic    : 1.760000
+Charge state     : 1
+Radius, ionic    : 0.220000
+Charge state     : 6
+Radius, ionic    : 0.090000
+
+
+Atom
+====
+Number           : 8
+Name             : Fluorine
+Short name       : F
+Color            : 0.0,1.0,0.0
+Radius used      : 0.720000
+Radius, covalent : 0.720000
+Radius, atomic   : 0.570000
+Charge state     : -1
+Radius, ionic    : 1.330000
+Charge state     : 7
+Radius, ionic    : 0.080000
+
+
+Atom
+====
+Number           : 9
+Name             : Neon
+Short name       : Ne
+Color            : 0.537254901961,0.607843137255,0.525490196078
+Radius used      : 0.710000
+Radius, covalent : 0.710000
+Radius, atomic   : 0.510000
+Charge state     : 1
+Radius, ionic    : 1.120000
+
+
+Atom
+====
+Number           : 10
+Name             : Sodium
+Short name       : Na
+Color            : 0.0,0.0,1.0
+Radius used      : 1.540000
+Radius, covalent : 1.540000
+Radius, atomic   : 2.230000
+Charge state     : 1
+Radius, ionic    : 0.970000
+
+
+Atom
+====
+Number           : 11
+Name             : Magnesium
+Short name       : Mg
+Color            : 1.0,1.0,1.0
+Radius used      : 1.360000
+Radius, covalent : 1.360000
+Radius, atomic   : 1.720000
+Charge state     : 1
+Radius, ionic    : 0.820000
+Charge state     : 2
+Radius, ionic    : 0.660000
+
+
+Atom
+====
+Number           : 12
+Name             : Aluminium
+Short name       : Al
+Color            : 0.701960784314,0.2,0.623529411765
+Radius used      : 1.180000
+Radius, covalent : 1.180000
+Radius, atomic   : 1.820000
+Charge state     : 3
+Radius, ionic    : 0.510000
+
+
+Atom
+====
+Number           : 13
+Name             : Silicon
+Short name       : Si
+Color            : 0.654901960784,0.647058823529,0.278431372549
+Radius used      : 1.110000
+Radius, covalent : 1.110000
+Radius, atomic   : 1.460000
+Charge state     : -4
+Radius, ionic    : 2.710000
+Charge state     : -1
+Radius, ionic    : 3.840000
+Charge state     : 1
+Radius, ionic    : 0.650000
+Charge state     : 4
+Radius, ionic    : 0.420000
+
+
+Atom
+====
+Number           : 14
+Name             : Phosphorus
+Short name       : P
+Color            : 1.0,1.0,0.0
+Radius used      : 1.060000
+Radius, covalent : 1.060000
+Radius, atomic   : 1.230000
+Charge state     : -3
+Radius, ionic    : 2.120000
+Charge state     : 3
+Radius, ionic    : 0.440000
+Charge state     : 5
+Radius, ionic    : 0.350000
+
+
+Atom
+====
+Number           : 15
+Name             : Sulfur
+Short name       : S
+Color            : 1.0,1.0,0.501960784314
+Radius used      : 1.020000
+Radius, covalent : 1.020000
+Radius, atomic   : 1.090000
+Charge state     : -2
+Radius, ionic    : 1.840000
+Charge state     : 2
+Radius, ionic    : 2.190000
+Charge state     : 4
+Radius, ionic    : 0.370000
+Charge state     : 6
+Radius, ionic    : 0.300000
+
+
+Atom
+====
+Number           : 16
+Name             : Chlorine
+Short name       : Cl
+Color            : 0.0,1.0,0.0
+Radius used      : 0.990000
+Radius, covalent : 0.990000
+Radius, atomic   : 0.970000
+Charge state     : -1
+Radius, ionic    : 1.810000
+Charge state     : 5
+Radius, ionic    : 0.340000
+Charge state     : 7
+Radius, ionic    : 0.270000
+
+
+Atom
+====
+Number           : 17
+Name             : Argon
+Short name       : Ar
+Color            : 0.317647058824,0.329411764706,0.749019607843
+Radius used      : 0.980000
+Radius, covalent : 0.980000
+Radius, atomic   : 0.880000
+Charge state     : 1
+Radius, ionic    : 1.540000
+
+
+Atom
+====
+Number           : 18
+Name             : Potassium
+Short name       : K
+Color            : 0.811764705882,0.239215686275,0.423529411765
+Radius used      : 2.030000
+Radius, covalent : 2.030000
+Radius, atomic   : 2.770000
+Charge state     : 1
+Radius, ionic    : 0.810000
+
+
+Atom
+====
+Number           : 19
+Name             : Calcium
+Short name       : Ca
+Color            : 1.0,1.0,1.0
+Radius used      : 1.740000
+Radius, covalent : 1.740000
+Radius, atomic   : 2.230000
+Charge state     : 1
+Radius, ionic    : 1.180000
+Charge state     : 2
+Radius, ionic    : 0.990000
+
+
+Atom
+====
+Number           : 20
+Name             : Scandium
+Short name       : Sc
+Color            : 0.662745098039,0.447058823529,0.313725490196
+Radius used      : 1.440000
+Radius, covalent : 1.440000
+Radius, atomic   : 2.090000
+Charge state     : 3
+Radius, ionic    : 0.732000
+
+
+Atom
+====
+Number           : 21
+Name             : Titanium
+Short name       : Ti
+Color            : 0.270588235294,0.533333333333,0.686274509804
+Radius used      : 1.320000
+Radius, covalent : 1.320000
+Radius, atomic   : 2.000000
+Charge state     : 1
+Radius, ionic    : 0.960000
+Charge state     : 2
+Radius, ionic    : 0.940000
+Charge state     : 3
+Radius, ionic    : 0.760000
+Charge state     : 4
+Radius, ionic    : 0.680000
+
+
+Atom
+====
+Number           : 22
+Name             : Vanadium
+Short name       : V
+Color            : 0.270588235294,0.243137254902,0.635294117647
+Radius used      : 1.220000
+Radius, covalent : 1.220000
+Radius, atomic   : 1.920000
+Charge state     : 2
+Radius, ionic    : 0.880000
+Charge state     : 3
+Radius, ionic    : 0.740000
+Charge state     : 4
+Radius, ionic    : 0.630000
+Charge state     : 5
+Radius, ionic    : 0.590000
+
+
+Atom
+====
+Number           : 23
+Name             : Chromium
+Short name       : Cr
+Color            : 0.807843137255,0.286274509804,0.819607843137
+Radius used      : 1.180000
+Radius, covalent : 1.180000
+Radius, atomic   : 1.850000
+Charge state     : 1
+Radius, ionic    : 0.810000
+Charge state     : 2
+Radius, ionic    : 0.890000
+Charge state     : 3
+Radius, ionic    : 0.630000
+Charge state     : 6
+Radius, ionic    : 0.520000
+
+
+Atom
+====
+Number           : 24
+Name             : Manganese
+Short name       : Mn
+Color            : 0.752941176471,0.352941176471,0.552941176471
+Radius used      : 1.170000
+Radius, covalent : 1.170000
+Radius, atomic   : 1.790000
+Charge state     : 2
+Radius, ionic    : 0.800000
+Charge state     : 3
+Radius, ionic    : 0.660000
+Charge state     : 4
+Radius, ionic    : 0.600000
+Charge state     : 7
+Radius, ionic    : 0.460000
+
+
+Atom
+====
+Number           : 25
+Name             : Iron
+Short name       : Fe
+Color            : 1.0,0.0,0.0
+Radius used      : 1.170000
+Radius, covalent : 1.170000
+Radius, atomic   : 1.720000
+Charge state     : 2
+Radius, ionic    : 0.740000
+Charge state     : 3
+Radius, ionic    : 0.640000
+
+
+Atom
+====
+Number           : 26
+Name             : Cobalt
+Short name       : Co
+Color            : 0.274509803922,0.219607843137,0.752941176471
+Radius used      : 1.160000
+Radius, covalent : 1.160000
+Radius, atomic   : 1.670000
+Charge state     : 2
+Radius, ionic    : 0.720000
+Charge state     : 3
+Radius, ionic    : 0.630000
+
+
+Atom
+====
+Number           : 27
+Name             : Nickel
+Short name       : Ni
+Color            : 0.439215686275,0.360784313725,0.862745098039
+Radius used      : 1.150000
+Radius, covalent : 1.150000
+Radius, atomic   : 1.620000
+Charge state     : 2
+Radius, ionic    : 0.690000
+
+
+Atom
+====
+Number           : 28
+Name             : Copper
+Short name       : Cu
+Color            : 0.607843137255,0.0,0.0
+Radius used      : 1.170000
+Radius, covalent : 1.170000
+Radius, atomic   : 1.570000
+Charge state     : 1
+Radius, ionic    : 0.960000
+Charge state     : 2
+Radius, ionic    : 0.720000
+
+
+Atom
+====
+Number           : 29
+Name             : Zinc
+Short name       : Zn
+Color            : 0.423529411765,0.36862745098,0.450980392157
+Radius used      : 1.250000
+Radius, covalent : 1.250000
+Radius, atomic   : 1.530000
+Charge state     : 1
+Radius, ionic    : 0.880000
+Charge state     : 2
+Radius, ionic    : 0.740000
+
+
+Atom
+====
+Number           : 30
+Name             : Gallium
+Short name       : Ga
+Color            : 0.635294117647,0.729411764706,0.337254901961
+Radius used      : 1.260000
+Radius, covalent : 1.260000
+Radius, atomic   : 1.810000
+Charge state     : 1
+Radius, ionic    : 0.810000
+Charge state     : 3
+Radius, ionic    : 0.620000
+
+
+Atom
+====
+Number           : 31

@@ Diff output truncated at 10240 characters. @@


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