OpenMM
 All Classes Namespaces Functions Variables Pages
simtk.openmm.app.element Namespace Reference

Classes

class  Element
 An Element represents a chemical element. More...
 

Functions

def get_by_symbol
 

Variables

string __author__ = "Christopher M. Bruns"
 
string __version__ = "1.0"
 
tuple hydrogen = Element( 1, "hydrogen", "H", 1.007947*daltons)
 
tuple deuterium = Element( 1, "deuterium", "D", 2.01355321270*daltons)
 
tuple helium = Element( 2, "helium", "He", 4.003*daltons)
 
tuple lithium = Element( 3, "lithium", "Li", 6.9412*daltons)
 
tuple beryllium = Element( 4, "beryllium", "Be", 9.0121823*daltons)
 
tuple boron = Element( 5, "boron", "B", 10.8117*daltons)
 
tuple carbon = Element( 6, "carbon", "C", 12.01078*daltons)
 
tuple nitrogen = Element( 7, "nitrogen", "N", 14.00672*daltons)
 
tuple oxygen = Element( 8, "oxygen", "O", 15.99943*daltons)
 
tuple fluorine = Element( 9, "fluorine", "F", 18.99840325*daltons)
 
tuple neon = Element( 10, "neon", "Ne", 20.17976*daltons)
 
tuple sodium = Element( 11, "sodium", "Na", 22.989769282*daltons)
 
tuple magnesium = Element( 12, "magnesium", "Mg", 24.30506*daltons)
 
tuple aluminum = Element( 13, "aluminum", "Al", 26.98153868*daltons)
 
tuple silicon = Element( 14, "silicon", "Si", 28.08553*daltons)
 
tuple phosphorus = Element( 15, "phosphorus", "P", 30.9737622*daltons)
 
tuple sulfur = Element( 16, "sulfur", "S", 32.0655*daltons)
 
tuple chlorine = Element( 17, "chlorine", "Cl", 35.4532*daltons)
 
tuple argon = Element( 18, "argon", "Ar", 39.9481*daltons)
 
tuple potassium = Element( 19, "potassium", "K", 39.09831*daltons)
 
tuple calcium = Element( 20, "calcium", "Ca", 40.0784*daltons)
 
tuple scandium = Element( 21, "scandium", "Sc", 44.9559126*daltons)
 
tuple titanium = Element( 22, "titanium", "Ti", 47.8671*daltons)
 
tuple vanadium = Element( 23, "vanadium", "V", 50.94151*daltons)
 
tuple chromium = Element( 24, "chromium", "Cr", 51.99616*daltons)
 
tuple manganese = Element( 25, "manganese", "Mn", 54.9380455*daltons)
 
tuple iron = Element( 26, "iron", "Fe", 55.8452*daltons)
 
tuple cobalt = Element( 27, "cobalt", "Co", 58.9331955*daltons)
 
tuple nickel = Element( 28, "nickel", "Ni", 58.69342*daltons)
 
tuple copper = Element( 29, "copper", "Cu", 63.5463*daltons)
 
tuple zinc = Element( 30, "zinc", "Zn", 65.4094*daltons)
 
tuple gallium = Element( 31, "gallium", "Ga", 69.7231*daltons)
 
tuple germanium = Element( 32, "germanium", "Ge", 72.641*daltons)
 
tuple arsenic = Element( 33, "arsenic", "As", 74.921602*daltons)
 
tuple selenium = Element( 34, "selenium", "Se", 78.963*daltons)
 
tuple bromine = Element( 35, "bromine", "Br", 79.9041*daltons)
 
tuple krypton = Element( 36, "krypton", "Kr", 83.7982*daltons)
 
tuple rubidium = Element( 37, "rubidium", "Rb", 85.46783*daltons)
 
tuple strontium = Element( 38, "strontium", "Sr", 87.621*daltons)
 
tuple yttrium = Element( 39, "yttrium", "Y", 88.905852*daltons)
 
tuple zirconium = Element( 40, "zirconium", "Zr", 91.2242*daltons)
 
tuple niobium = Element( 41, "niobium", "Nb", 92.906382*daltons)
 
tuple molybdenum = Element( 42, "molybdenum", "Mo", 95.942*daltons)
 
tuple technetium = Element( 43, "technetium", "Tc", 98*daltons)
 
tuple ruthenium = Element( 44, "ruthenium", "Ru", 101.072*daltons)
 
tuple rhodium = Element( 45, "rhodium", "Rh", 102.905502*daltons)
 
tuple palladium = Element( 46, "palladium", "Pd", 106.421*daltons)
 
tuple silver = Element( 47, "silver", "Ag", 107.86822*daltons)
 
tuple cadmium = Element( 48, "cadmium", "Cd", 112.4118*daltons)
 
tuple indium = Element( 49, "indium", "In", 114.8183*daltons)
 
tuple tin = Element( 50, "tin", "Sn", 118.7107*daltons)
 
tuple antimony = Element( 51, "antimony", "Sb", 121.7601*daltons)
 
tuple tellurium = Element( 52, "tellurium", "Te", 127.603*daltons)
 
tuple iodine = Element( 53, "iodine", "I", 126.904473*daltons)
 
tuple xenon = Element( 54, "xenon", "Xe", 131.2936*daltons)
 
tuple cesium = Element( 55, "cesium", "Cs", 132.90545192*daltons)
 
tuple barium = Element( 56, "barium", "Ba", 137.3277*daltons)
 
tuple lanthanum = Element( 57, "lanthanum", "La", 138.905477*daltons)
 
tuple cerium = Element( 58, "cerium", "Ce", 140.1161*daltons)
 
tuple praseodymium = Element( 59, "praseodymium", "Pr", 140.907652*daltons)
 
tuple neodymium = Element( 60, "neodymium", "Nd", 144.2423*daltons)
 
tuple promethium = Element( 61, "promethium", "Pm", 145*daltons)
 
tuple samarium = Element( 62, "samarium", "Sm", 150.362*daltons)
 
tuple europium = Element( 63, "europium", "Eu", 151.9641*daltons)
 
tuple gadolinium = Element( 64, "gadolinium", "Gd", 157.253*daltons)
 
tuple terbium = Element( 65, "terbium", "Tb", 158.925352*daltons)
 
tuple dysprosium = Element( 66, "dysprosium", "Dy", 162.5001*daltons)
 
tuple holmium = Element( 67, "holmium", "Ho", 164.930322*daltons)
 
tuple erbium = Element( 68, "erbium", "Er", 167.2593*daltons)
 
tuple thulium = Element( 69, "thulium", "Tm", 168.934212*daltons)
 
tuple ytterbium = Element( 70, "ytterbium", "Yb", 173.043*daltons)
 
tuple lutetium = Element( 71, "lutetium", "Lu", 174.9671*daltons)
 
tuple hafnium = Element( 72, "hafnium", "Hf", 178.492*daltons)
 
tuple tantalum = Element( 73, "tantalum", "Ta", 180.947882*daltons)
 
tuple tungsten = Element( 74, "tungsten", "W", 183.841*daltons)
 
tuple rhenium = Element( 75, "rhenium", "Re", 186.2071*daltons)
 
tuple osmium = Element( 76, "osmium", "Os", 190.233*daltons)
 
tuple iridium = Element( 77, "iridium", "Ir", 192.2173*daltons)
 
tuple platinum = Element( 78, "platinum", "Pt", 195.0849*daltons)
 
tuple gold = Element( 79, "gold", "Au", 196.9665694*daltons)
 
tuple mercury = Element( 80, "mercury", "Hg", 200.592*daltons)
 
tuple thallium = Element( 81, "thallium", "Tl", 204.38332*daltons)
 
tuple lead = Element( 82, "lead", "Pb", 207.21*daltons)
 
tuple bismuth = Element( 83, "bismuth", "Bi", 208.980401*daltons)
 
tuple polonium = Element( 84, "polonium", "Po", 209*daltons)
 
tuple astatine = Element( 85, "astatine", "At", 210*daltons)
 
tuple radon = Element( 86, "radon", "Rn", 222.018*daltons)
 
tuple francium = Element( 87, "francium", "Fr", 223*daltons)
 
tuple radium = Element( 88, "radium", "Ra", 226*daltons)
 
tuple actinium = Element( 89, "actinium", "Ac", 227*daltons)
 
tuple thorium = Element( 90, "thorium", "Th", 232.038062*daltons)
 
tuple protactinium = Element( 91, "protactinium", "Pa", 231.035882*daltons)
 
tuple uranium = Element( 92, "uranium", "U", 238.028913*daltons)
 
tuple neptunium = Element( 93, "neptunium", "Np", 237*daltons)
 
tuple plutonium = Element( 94, "plutonium", "Pu", 244*daltons)
 
tuple americium = Element( 95, "americium", "Am", 243*daltons)
 
tuple curium = Element( 96, "curium", "Cm", 247*daltons)
 
tuple berkelium = Element( 97, "berkelium", "Bk", 247*daltons)
 
tuple californium = Element( 98, "californium", "Cf", 251*daltons)
 
tuple einsteinium = Element( 99, "einsteinium", "Es", 252*daltons)
 
tuple fermium = Element(100, "fermium", "Fm", 257*daltons)
 
tuple mendelevium = Element(101, "mendelevium", "Md", 258*daltons)
 
tuple nobelium = Element(102, "nobelium", "No", 259*daltons)
 
tuple lawrencium = Element(103, "lawrencium", "Lr", 262*daltons)
 
tuple rutherfordium = Element(104, "rutherfordium", "Rf", 261*daltons)
 
tuple dubnium = Element(105, "dubnium", "Db", 262*daltons)
 
tuple seaborgium = Element(106, "seaborgium", "Sg", 266*daltons)
 
tuple bohrium = Element(107, "bohrium", "Bh", 264*daltons)
 
tuple hassium = Element(108, "hassium", "Hs", 269*daltons)
 
tuple meitnerium = Element(109, "meitnerium", "Mt", 268*daltons)
 
tuple darmstadtium = Element(110, "darmstadtium", "Ds", 281*daltons)
 
tuple roentgenium = Element(111, "roentgenium", "Rg", 272*daltons)
 
tuple ununbium = Element(112, "ununbium", "Uub", 285*daltons)
 
tuple ununtrium = Element(113, "ununtrium", "Uut", 284*daltons)
 
tuple ununquadium = Element(114, "ununquadium", "Uuq", 289*daltons)
 
tuple ununpentium = Element(115, "ununpentium", "Uup", 288*daltons)
 
tuple ununhexium = Element(116, "ununhexium", "Uuh", 292*daltons)
 
 sulphur = sulfur
 
 aluminium = aluminum
 

Function Documentation

def simtk.openmm.app.element.get_by_symbol (   symbol)

Variable Documentation

string __author__ = "Christopher M. Bruns"
string __version__ = "1.0"
tuple actinium = Element( 89, "actinium", "Ac", 227*daltons)
aluminium = aluminum
tuple aluminum = Element( 13, "aluminum", "Al", 26.98153868*daltons)
tuple americium = Element( 95, "americium", "Am", 243*daltons)
tuple antimony = Element( 51, "antimony", "Sb", 121.7601*daltons)
tuple argon = Element( 18, "argon", "Ar", 39.9481*daltons)
tuple arsenic = Element( 33, "arsenic", "As", 74.921602*daltons)
tuple astatine = Element( 85, "astatine", "At", 210*daltons)
tuple barium = Element( 56, "barium", "Ba", 137.3277*daltons)
tuple berkelium = Element( 97, "berkelium", "Bk", 247*daltons)
tuple beryllium = Element( 4, "beryllium", "Be", 9.0121823*daltons)
tuple bismuth = Element( 83, "bismuth", "Bi", 208.980401*daltons)
tuple bohrium = Element(107, "bohrium", "Bh", 264*daltons)
tuple boron = Element( 5, "boron", "B", 10.8117*daltons)
tuple bromine = Element( 35, "bromine", "Br", 79.9041*daltons)
tuple cadmium = Element( 48, "cadmium", "Cd", 112.4118*daltons)
tuple calcium = Element( 20, "calcium", "Ca", 40.0784*daltons)
tuple californium = Element( 98, "californium", "Cf", 251*daltons)
tuple carbon = Element( 6, "carbon", "C", 12.01078*daltons)
tuple cerium = Element( 58, "cerium", "Ce", 140.1161*daltons)
tuple cesium = Element( 55, "cesium", "Cs", 132.90545192*daltons)
tuple chlorine = Element( 17, "chlorine", "Cl", 35.4532*daltons)
tuple chromium = Element( 24, "chromium", "Cr", 51.99616*daltons)
tuple cobalt = Element( 27, "cobalt", "Co", 58.9331955*daltons)
tuple copper = Element( 29, "copper", "Cu", 63.5463*daltons)
tuple curium = Element( 96, "curium", "Cm", 247*daltons)
tuple darmstadtium = Element(110, "darmstadtium", "Ds", 281*daltons)
tuple deuterium = Element( 1, "deuterium", "D", 2.01355321270*daltons)
tuple dubnium = Element(105, "dubnium", "Db", 262*daltons)
tuple dysprosium = Element( 66, "dysprosium", "Dy", 162.5001*daltons)
tuple einsteinium = Element( 99, "einsteinium", "Es", 252*daltons)
tuple erbium = Element( 68, "erbium", "Er", 167.2593*daltons)
tuple europium = Element( 63, "europium", "Eu", 151.9641*daltons)
tuple fermium = Element(100, "fermium", "Fm", 257*daltons)
tuple fluorine = Element( 9, "fluorine", "F", 18.99840325*daltons)
tuple francium = Element( 87, "francium", "Fr", 223*daltons)
tuple gadolinium = Element( 64, "gadolinium", "Gd", 157.253*daltons)
tuple gallium = Element( 31, "gallium", "Ga", 69.7231*daltons)
tuple germanium = Element( 32, "germanium", "Ge", 72.641*daltons)
tuple gold = Element( 79, "gold", "Au", 196.9665694*daltons)
tuple hafnium = Element( 72, "hafnium", "Hf", 178.492*daltons)
tuple hassium = Element(108, "hassium", "Hs", 269*daltons)
tuple helium = Element( 2, "helium", "He", 4.003*daltons)
tuple holmium = Element( 67, "holmium", "Ho", 164.930322*daltons)
tuple hydrogen = Element( 1, "hydrogen", "H", 1.007947*daltons)
tuple indium = Element( 49, "indium", "In", 114.8183*daltons)
tuple iodine = Element( 53, "iodine", "I", 126.904473*daltons)
tuple iridium = Element( 77, "iridium", "Ir", 192.2173*daltons)
tuple iron = Element( 26, "iron", "Fe", 55.8452*daltons)
tuple krypton = Element( 36, "krypton", "Kr", 83.7982*daltons)
tuple lanthanum = Element( 57, "lanthanum", "La", 138.905477*daltons)
tuple lawrencium = Element(103, "lawrencium", "Lr", 262*daltons)
tuple lead = Element( 82, "lead", "Pb", 207.21*daltons)
tuple lithium = Element( 3, "lithium", "Li", 6.9412*daltons)
tuple lutetium = Element( 71, "lutetium", "Lu", 174.9671*daltons)
tuple magnesium = Element( 12, "magnesium", "Mg", 24.30506*daltons)
tuple manganese = Element( 25, "manganese", "Mn", 54.9380455*daltons)
tuple meitnerium = Element(109, "meitnerium", "Mt", 268*daltons)
tuple mendelevium = Element(101, "mendelevium", "Md", 258*daltons)
tuple mercury = Element( 80, "mercury", "Hg", 200.592*daltons)
tuple molybdenum = Element( 42, "molybdenum", "Mo", 95.942*daltons)
tuple neodymium = Element( 60, "neodymium", "Nd", 144.2423*daltons)
tuple neon = Element( 10, "neon", "Ne", 20.17976*daltons)
tuple neptunium = Element( 93, "neptunium", "Np", 237*daltons)
tuple nickel = Element( 28, "nickel", "Ni", 58.69342*daltons)
tuple niobium = Element( 41, "niobium", "Nb", 92.906382*daltons)
tuple nitrogen = Element( 7, "nitrogen", "N", 14.00672*daltons)
tuple nobelium = Element(102, "nobelium", "No", 259*daltons)
tuple osmium = Element( 76, "osmium", "Os", 190.233*daltons)
tuple oxygen = Element( 8, "oxygen", "O", 15.99943*daltons)
tuple palladium = Element( 46, "palladium", "Pd", 106.421*daltons)
tuple phosphorus = Element( 15, "phosphorus", "P", 30.9737622*daltons)
tuple platinum = Element( 78, "platinum", "Pt", 195.0849*daltons)
tuple plutonium = Element( 94, "plutonium", "Pu", 244*daltons)
tuple polonium = Element( 84, "polonium", "Po", 209*daltons)
tuple potassium = Element( 19, "potassium", "K", 39.09831*daltons)
tuple praseodymium = Element( 59, "praseodymium", "Pr", 140.907652*daltons)
tuple promethium = Element( 61, "promethium", "Pm", 145*daltons)
tuple protactinium = Element( 91, "protactinium", "Pa", 231.035882*daltons)
tuple radium = Element( 88, "radium", "Ra", 226*daltons)
tuple radon = Element( 86, "radon", "Rn", 222.018*daltons)
tuple rhenium = Element( 75, "rhenium", "Re", 186.2071*daltons)
tuple rhodium = Element( 45, "rhodium", "Rh", 102.905502*daltons)
tuple roentgenium = Element(111, "roentgenium", "Rg", 272*daltons)
tuple rubidium = Element( 37, "rubidium", "Rb", 85.46783*daltons)
tuple ruthenium = Element( 44, "ruthenium", "Ru", 101.072*daltons)
tuple rutherfordium = Element(104, "rutherfordium", "Rf", 261*daltons)
tuple samarium = Element( 62, "samarium", "Sm", 150.362*daltons)
tuple scandium = Element( 21, "scandium", "Sc", 44.9559126*daltons)
tuple seaborgium = Element(106, "seaborgium", "Sg", 266*daltons)
tuple selenium = Element( 34, "selenium", "Se", 78.963*daltons)
tuple silicon = Element( 14, "silicon", "Si", 28.08553*daltons)
tuple silver = Element( 47, "silver", "Ag", 107.86822*daltons)
tuple sodium = Element( 11, "sodium", "Na", 22.989769282*daltons)
tuple strontium = Element( 38, "strontium", "Sr", 87.621*daltons)
tuple sulfur = Element( 16, "sulfur", "S", 32.0655*daltons)
sulphur = sulfur
tuple tantalum = Element( 73, "tantalum", "Ta", 180.947882*daltons)
tuple technetium = Element( 43, "technetium", "Tc", 98*daltons)
tuple tellurium = Element( 52, "tellurium", "Te", 127.603*daltons)
tuple terbium = Element( 65, "terbium", "Tb", 158.925352*daltons)
tuple thallium = Element( 81, "thallium", "Tl", 204.38332*daltons)
tuple thorium = Element( 90, "thorium", "Th", 232.038062*daltons)
tuple thulium = Element( 69, "thulium", "Tm", 168.934212*daltons)
tuple tin = Element( 50, "tin", "Sn", 118.7107*daltons)
tuple titanium = Element( 22, "titanium", "Ti", 47.8671*daltons)
tuple tungsten = Element( 74, "tungsten", "W", 183.841*daltons)
tuple ununbium = Element(112, "ununbium", "Uub", 285*daltons)
tuple ununhexium = Element(116, "ununhexium", "Uuh", 292*daltons)
tuple ununpentium = Element(115, "ununpentium", "Uup", 288*daltons)
tuple ununquadium = Element(114, "ununquadium", "Uuq", 289*daltons)
tuple ununtrium = Element(113, "ununtrium", "Uut", 284*daltons)
tuple uranium = Element( 92, "uranium", "U", 238.028913*daltons)
tuple vanadium = Element( 23, "vanadium", "V", 50.94151*daltons)
tuple xenon = Element( 54, "xenon", "Xe", 131.2936*daltons)
tuple ytterbium = Element( 70, "ytterbium", "Yb", 173.043*daltons)
tuple yttrium = Element( 39, "yttrium", "Y", 88.905852*daltons)
tuple zinc = Element( 30, "zinc", "Zn", 65.4094*daltons)
tuple zirconium = Element( 40, "zirconium", "Zr", 91.2242*daltons)