[Bf-extensions-cvs] SVN commit: /data/svn/bf-extensions [2651] contrib/py/scripts/addons/ io_import_pdb_atomic_blender.py:
Clemens Barth
barth at root-1.de
Wed Nov 23 23:31:31 CET 2011
Revision: 2651
http://projects.blender.org/scm/viewvc.php?view=rev&root=bf-extensions&revision=2651
Author: blendphys
Date: 2011-11-23 22:31:30 +0000 (Wed, 23 Nov 2011)
Log Message:
-----------
Dear all.
I realized this evening that I need my own custom data file with all my own
color values and specific atomic radii. This is why I introduced a new
file loader in the panel. One can load a custom data file now.
Cheers,
Blendphys.
Modified Paths:
--------------
contrib/py/scripts/addons/io_import_pdb_atomic_blender.py
Modified: contrib/py/scripts/addons/io_import_pdb_atomic_blender.py
===================================================================
--- contrib/py/scripts/addons/io_import_pdb_atomic_blender.py 2011-11-23 21:23:04 UTC (rev 2650)
+++ contrib/py/scripts/addons/io_import_pdb_atomic_blender.py 2011-11-23 22:31:30 UTC (rev 2651)
@@ -81,102 +81,102 @@
# charge state 1, radius (ionic) 1, charge state 2, radius (ionic) 2, ... all
# charge states for any atom are listed, if existing.
-Data_all_atoms = (
-( 1, "Hydrogen", "H", ( 0.0, 0.0, 1.0), 0.32, 0.32, 0.32 , -1 , 1.54 ),
-( 2, "Helium", "He", ( 0.20, 0.56, 0.20), 0.93, 0.93, 0.93 , 1 , 0.68 ),
-( 3, "Beryllium", "Be", ( 0.44, 0.72, 0.30), 0.90, 0.90, 0.90 , 1 , 0.44 , 2 , 0.35 ),
-( 4, "Boron", "B", ( 1.0, 1.0, 1.0), 0.82, 0.82, 0.82 , 1 , 0.35 , 3 , 0.23 ),
-( 5, "Carbon", "C", ( 0.0, 0.0, 0.0), 0.77, 0.77, 0.77 , -4 , 2.60 , 4 , 0.16 ),
-( 6, "Nitrogen", "N", ( 0.0, 0.0, 1.0), 0.75, 0.75, 0.75 , -3 , 1.71 , 1 , 0.25 , 3 , 0.16 , 5 , 0.13 ),
-( 7, "Oxygen", "O", ( 1.0, 0.0, 0.0), 0.73, 0.73, 0.73 , -2 , 1.32 , -1 , 1.76 , 1 , 0.22 , 6 , 0.09 ),
-( 8, "Fluorine", "F", ( 0.0, 1.0, 0.0), 0.72, 0.72, 0.72 , -1 , 1.33 , 7 , 0.08 ),
-( 9, "Neon", "Ne", ( 0.53, 0.60, 0.52), 0.71, 0.71, 0.71 , 1 , 1.12 ),
-(10, "Sodium", "Na", ( 0.0, 0.0, 1.0), 1.54, 1.54, 1.54 , 1 , 0.97 ),
-(11, "Magnesium", "Mg", ( 1.0, 1.0, 1.0), 1.36, 1.36, 1.36 , 1 , 0.82 , 2 , 0.66 ),
-(12, "Aluminium", "Al", ( 0.70, 0.2, 0.62), 1.18, 1.18, 1.18 , 3 , 0.51 ),
-(13, "Silicon", "Si", ( 0.65, 0.64, 0.27), 1.11, 1.11, 1.11 , -4 , 2.71 , -1 , 3.84 , 1 , 0.65 , 4 , 0.42 ),
-(14, "Phosphorus", "P", ( 1.0, 1.0, 0.0), 1.06, 1.06, 1.06 , -3 , 2.12 , 3 , 0.44 , 5 , 0.35 ),
-(15, "Sulfur", "S", ( 1.0, 1.0, 0.50), 1.02, 1.02, 1.02 , -2 , 1.84 , 2 , 2.19 , 4 , 0.37 , 6 , 0.30 ),
-(16, "Chlorine", "Cl", ( 0.0, 1.0, 0.0), 0.99, 0.99, 0.99 , -1 , 1.81 , 5 , 0.34 , 7 , 0.27 ),
-(17, "Argon", "Ar", ( 0.31, 0.32, 0.74), 0.98, 0.98, 0.98 , 1 , 1.54 ),
-(18, "Potassium", "K", ( 0.81, 0.23, 0.42), 2.03, 2.03, 2.03 , 1 , 0.81 ),
-(19, "Calcium", "Ca", ( 1.0, 1.0, 1.0), 1.74, 1.74, 1.74 , 1 , 1.18 , 2 , 0.99 ),
-(20, "Scandium", "Sc", ( 0.66, 0.44, 0.31), 1.44, 1.44, 1.44 , 3 , 0.73 ),
-(21, "Titanium", "Ti", ( 0.27, 0.53, 0.68), 1.32, 1.32, 1.32 , 1 , 0.96 , 2 , 0.94 , 3 , 0.76 , 4 , 0.68 ),
-(22, "Vanadium", "V", ( 0.27, 0.24, 0.63), 1.22, 1.22, 1.22 , 2 , 0.88 , 3 , 0.74 , 4 , 0.63 , 5 , 0.59 ),
-(23, "Chromium", "Cr", ( 0.80, 0.28, 0.81), 1.18, 1.18, 1.18 , 1 , 0.81 , 2 , 0.89 , 3 , 0.63 , 6 , 0.52 ),
-(24, "Manganese", "Mn", ( 0.75, 0.35, 0.55), 1.17, 1.17, 1.17 , 2 , 0.80 , 3 , 0.66 , 4 , 0.60 , 7 , 0.46 ),
-(25, "Iron", "Fe", ( 1.0, 0.0, 0.0), 1.17, 1.17, 1.17 , 2 , 0.74 , 3 , 0.64 ),
-(26, "Cobalt", "Co", ( 0.27, 0.21, 0.75), 1.16, 1.16, 1.16 , 2 , 0.72 , 3 , 0.63 ),
-(27, "Nickel", "Ni", ( 0.43, 0.36, 0.86), 1.15, 1.15, 1.15 , 2 , 0.69 ),
-(28, "Copper", "Cu", ( 0.60, 0.0, 0.0), 1.17, 1.17, 1.17 , 1 , 0.96 , 2 , 0.72 ),
-(29, "Zinc", "Zn", ( 0.42, 0.36, 0.45), 1.25, 1.25, 1.25 , 1 , 0.88 , 2 , 0.74 ),
-(30, "Gallium", "Ga", ( 0.63, 0.72, 0.33), 1.26, 1.26, 1.26 , 1 , 0.81 , 3 , 0.62 ),
-(31, "Germanium", "Ge", ( 0.42, 0.75, 0.30), 1.22, 1.22, 1.22 , -4 , 2.72 , 2 , 0.73 , 4 , 0.53 ),
-(32, "Arsenic", "As", ( 0.39, 0.77, 0.25), 1.20, 1.20, 1.20 , -3 , 2.22 , 3 , 0.58 , 5 , 0.46 ),
-(33, "Selenium", "Se", ( 0.95, 0.27, 0.90), 1.16, 1.16, 1.16 , -2 , 1.91 , -1 , 2.32 , 1 , 0.66 , 4 , 0.50 , 6 , 0.42 ),
-(34, "Bromine", "Br", ( 0.0, 0.49, 0.0), 1.14, 1.14, 1.14 , -1 , 1.96 , 5 , 0.47 , 7 , 0.39 ),
-(35, "Krypton", "Kr", ( 0.22, 0.43, 0.19), 1.31, 1.31, 1.31 , 1 , 1.47 ),
-(36, "Strontium", "Sr", ( 1.0, 1.0, 1.0), 1.91, 1.91, 1.91 , 2 , 1.12 ),
-(37, "Yttrium", "Y", ( 1.0, 1.0, 1.0), 1.62, 1.62, 1.62 , 3 , 0.89 ),
-(38, "Zirconium", "Zr", ( 1.0, 1.0, 1.0), 1.45, 1.45, 1.45 , 1 , 1.09 , 4 , 0.79 ),
-(39, "Niobium", "Nb", ( 1.0, 1.0, 1.0), 1.34, 1.34, 1.34 , 1 , 1.00 , 4 , 0.74 , 5 , 0.69 ),
-(40, "Molybdenum", "Mo", ( 1.0, 1.0, 1.0), 1.30, 1.30, 1.30 , 1 , 0.93 , 4 , 0.70 , 6 , 0.62 ),
-(41, "Technetium", "Tc", ( 1.0, 1.0, 1.0), 1.27, 1.27, 1.27 , 7 , 0.97 ),
-(42, "Ruthenium", "Ru", ( 1.0, 1.0, 1.0), 1.25, 1.25, 1.25 , 4 , 0.67 ),
-(43, "Rhodium", "Rh", ( 1.0, 1.0, 1.0), 1.25, 1.25, 1.25 , 3 , 0.68 ),
-(44, "Palladium", "Pd", ( 1.0, 1.0, 1.0), 1.28, 1.28, 1.28 , 2 , 0.80 , 4 , 0.65 ),
-(45, "Silver", "Ag", ( 1.0, 1.0, 1.0), 1.34, 1.34, 1.34 , 1 , 1.26 , 2 , 0.89 ),
-(46, "Cadmium", "Cd", ( 1.0, 1.0, 1.0), 1.48, 1.48, 1.48 , 1 , 1.14 , 2 , 0.97 ),
-(47, "Indium", "In", ( 1.0, 1.0, 1.0), 1.44, 1.44, 1.44 , 3 , 0.81 ),
-(48, "Tin", "Sn", ( 1.0, 1.0, 1.0), 1.41, 1.41, 1.41 , -4 , 2.94 , -1 , 3.70 , 2 , 0.93 , 4 , 0.71 ),
-(49, "Antimony", "Sb", ( 1.0, 1.0, 1.0), 1.40, 1.40, 1.40 , -3 , 2.45 , 3 , 0.76 , 5 , 0.62 ),
-(50, "Tellurium", "Te", ( 1.0, 1.0, 1.0), 1.36, 1.36, 1.36 , -2 , 2.11 , -1 , 2.50 , 1 , 0.82 , 4 , 0.70 , 6 , 0.56 ),
-(51, "Iodine", "I", ( 0.0, 0.49, 0.49), 1.33, 1.33, 1.33 , -1 , 2.20 , 5 , 0.62 , 7 , 0.50 ),
-(52, "Xenon", "Xe", ( 1.0, 1.0, 1.0), 1.31, 1.31, 1.31 , 1 , 1.67 ),
-(53, "Barium", "Ba", ( 1.0, 1.0, 1.0), 1.98, 1.98, 1.98 , 1 , 1.53 , 2 , 1.34 ),
-(54, "Lanthanum", "La", ( 1.0, 1.0, 1.0), 1.69, 1.69, 1.69 , 1 , 1.39 , 3 , 1.06 ),
-(55, "Cerium", "Ce", ( 1.0, 1.0, 1.0), 1.65, 1.65, 1.65 , 1 , 1.27 , 3 , 1.03 , 4 , 0.92 ),
-(56, "Praseodymium", "Pr", ( 1.0, 1.0, 1.0), 1.65, 1.65, 1.65 , 3 , 1.01 , 4 , 0.90 ),
-(57, "Neodymium", "Nd", ( 1.0, 1.0, 1.0), 1.64, 1.64, 1.64 , 3 , 0.99 ),
-(58, "Promethium", "Pm", ( 1.0, 1.0, 1.0), 1.63, 1.63, 1.63 , 3 , 0.97 ),
-(59, "Samarium", "Sm", ( 1.0, 1.0, 1.0), 1.62, 1.62, 1.62 , 3 , 0.96 ),
-(60, "Europium", "Eu", ( 1.0, 1.0, 1.0), 1.85, 1.85, 1.85 , 2 , 1.09 , 3 , 0.95 ),
-(61, "Gadolinium", "Gd", ( 1.0, 1.0, 1.0), 1.61, 1.61, 1.61 , 3 , 0.93 ),
-(62, "Terbium", "Tb", ( 1.0, 1.0, 1.0), 1.59, 1.59, 1.59 , 3 , 0.92 , 4 , 0.84 ),
-(63, "Dysprosium", "Dy", ( 1.0, 1.0, 1.0), 1.59, 1.59, 1.59 , 3 , 0.90 ),
-(64, "Holmium", "Ho", ( 1.0, 1.0, 1.0), 1.58, 1.58, 1.58 , 3 , 0.89 ),
-(65, "Erbium", "Er", ( 0.48, 0.48, 0.48), 1.57, 1.57, 1.57 , 3 , 0.88 ),
-(66, "Thulium", "Tm", ( 1.0, 1.0, 1.0), 1.56, 1.56, 1.56 , 3 , 0.87 ),
-(67, "Ytterbium", "Yb", ( 1.0, 1.0, 1.0), 1.74, 1.74, 1.74 , 2 , 0.93 , 3 , 0.85 ),
-(68, "Lutetium", "Lu", ( 1.0, 1.0, 1.0), 1.56, 1.56, 1.56 , 3 , 0.85 ),
-(69, "Hafnium", "Hf", ( 1.0, 1.0, 1.0), 1.44, 1.44, 1.44 , 4 , 0.78 ),
-(70, "Tantalum", "Ta", ( 1.0, 1.0, 1.0), 1.34, 1.34, 1.34 , 5 , 0.68 ),
-(71, "Tungsten", "W", ( 1.0, 1.0, 1.0), 1.30, 1.30, 1.30 , 4 , 0.70 , 6 , 0.62 ),
-(72, "Rhenium", "Re", ( 1.0, 1.0, 1.0), 1.28, 1.28, 1.28 , 4 , 0.72 , 7 , 0.56 ),
-(73, "Osmium", "Os", ( 1.0, 1.0, 1.0), 1.26, 1.26, 1.26 , 4 , 0.88 , 6 , 0.69 ),
-(74, "Iridium", "Ir", ( 1.0, 1.0, 1.0), 1.27, 1.27, 1.27 , 4 , 0.68 ),
-(75, "Platinium", "Pt", ( 1.0, 1.0, 1.0), 1.30, 1.30, 1.30 , 2 , 0.80 , 4 , 0.65 ),
-(76, "Gold", "Au", ( 1.0, 1.0, 1.0), 1.34, 1.34, 1.34 , 1 , 1.37 , 3 , 0.85 ),
-(77, "Mercury", "Hg", ( 1.0, 1.0, 1.0), 1.49, 1.49, 1.49 , 1 , 1.27 , 2 , 1.10 ),
-(78, "Thallium", "Tl", ( 1.0, 1.0, 1.0), 1.48, 1.48, 1.48 , 1 , 1.47 , 3 , 0.95 ),
-(79, "Lead", "Pb", ( 0.49, 0.49, 0.49), 1.47, 1.47, 1.47 , 2 , 1.20 , 4 , 0.84 ),
-(80, "Bismuth", "Bi", ( 1.0, 1.0, 1.0), 1.46, 1.46, 1.46 , 1 , 0.98 , 3 , 0.96 , 5 , 0.74 ),
-(81, "Polonium", "Po", ( 1.0, 1.0, 1.0), 1.46, 1.46, 1.46 , 6 , 0.67 ),
-(82, "Astatine", "At", ( 1.0, 1.0, 1.0), 1.45, 1.45, 1.45 , -3 , 2.22 , 3 , 0.85 , 5 , 0.46 ),
-(83, "Radon", "Rn", ( 1.0, 1.0, 1.0), 1.00, 1.00, 1.00 , 1 , 1.80 ),
-(84, "Radium", "Ra", ( 1.0, 1.0, 1.0), 1.00, 1.00, 1.00 , 2 , 1.43 ),
-(85, "Actinium", "Ac", ( 1.0, 1.0, 1.0), 1.00, 1.00, 1.00 , 3 , 1.18 ),
-(86, "Thorium", "Th", ( 1.0, 1.0, 1.0), 1.65, 1.65, 1.65 , 4 , 1.02 ),
-(87, "Protactinium", "Pa", ( 1.0, 1.0, 1.0), 1.00, 1.00, 1.00 , 3 , 1.13 , 4 , 0.98 , 5 , 0.89 ),
-(88, "Uranium", "U", ( 1.0, 1.0, 1.0), 1.42, 1.42, 1.42 , 4 , 0.97 , 6 , 0.80 ),
-(89, "Neptunium", "Np", ( 1.0, 1.0, 1.0), 1.00, 1.00, 1.00 , 3 , 1.10 , 4 , 0.95 , 7 , 0.71 ),
-(90, "Plutonium", "Pu", ( 1.0, 1.0, 1.0), 1.00, 1.00, 1.00 , 3 , 1.08 , 4 , 0.93 ),
-(91, "Americium", "Am", ( 1.0, 1.0, 1.0), 1.00, 1.00, 1.00 , 3 , 1.07 , 4 , 0.92 ),
-(92, "Curium", "Cm", ( 1.0, 1.0, 1.0), 1.00, 1.00, 1.00 ),
-(93, "Vacancy", "Vac", ( 0.5, 0.5, 0.5), 1.00, 0.00, 0.00),
-(94, "Default", "Default", ( 1.0, 1.0, 1.0), 1.00, 1.00, 1.00),
-(95, "Stick", "Stick", ( 0.5, 0.5, 0.5), 0.00, 0.00, 0.00))
+Data_all_atoms = [
+[ 1, "Hydrogen", "H", [ 0.0, 0.0, 1.0], 0.32, 0.32, 0.32 , -1 , 1.54 ],
@@ Diff output truncated at 10240 characters. @@
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