6. Data API¶
6.2. Functions¶
6.3. Data¶
6.3.1. ALL_BASES¶
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data.ALL_BASES= ['C', 'T', 'G', 'U', 'A', 'I', 'C5', 'T5', 'G5', 'U5', 'A5', 'I5', 'C3', 'T3', 'G3', 'U3', 'A3', 'I3']¶
6.3.2. AMINO_NAMES¶
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data.AMINO_NAMES= {'ILE': 'Isoleucine', 'GLN': 'Glutamine', 'GLX': 'GLU/GLN ambiguous', 'GLY': 'Glycine', 'GLU': 'Glutamic acid', 'CYS': 'Cysteine', 'ASP': 'Aspartic acid', 'SER': 'Serine', 'LYS': 'Lysine', 'PRO': 'Proline', 'ASX': 'ASP/ASN ambiguous', 'HID': 'Histidine delta tautomer', 'HIE': 'Histidine epsilon tautomer', 'ASN': 'Asparagine', 'HIP': 'Histidine ion', 'VAL': 'Valine', 'THR': 'Threonine', 'HIS': 'Histidine', 'TRP': 'Tryptophan', 'UNK': 'Undetermined', 'PHE': 'Phenylalanine', 'ALA': 'Alanine', 'MET': 'Methionine', 'LEU': 'Leucine', 'ARG': 'Arginine', 'TYR': 'Tyrosine'}¶
6.3.3. ATOMIC_MASSES¶
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data.ATOMIC_MASSES= {1: <Quantity(1.007825, 'amu')>, 2: <Quantity(4.002603, 'amu')>, 3: <Quantity(7.016004, 'amu')>, 4: <Quantity(9.012182, 'amu')>, 5: <Quantity(11.009305, 'amu')>, 6: <Quantity(12.0, 'amu')>, 7: <Quantity(14.003074, 'amu')>, 8: <Quantity(15.994915, 'amu')>, 9: <Quantity(18.998403, 'amu')>, 10: <Quantity(19.99244, 'amu')>, 11: <Quantity(22.98977, 'amu')>, 12: <Quantity(23.985042, 'amu')>, 13: <Quantity(26.981538, 'amu')>, 14: <Quantity(27.976927, 'amu')>, 15: <Quantity(30.973762, 'amu')>, 16: <Quantity(31.972071, 'amu')>, 17: <Quantity(34.968853, 'amu')>, 18: <Quantity(39.962383, 'amu')>, 19: <Quantity(38.963707, 'amu')>, 20: <Quantity(39.962591, 'amu')>, 21: <Quantity(44.95591, 'amu')>, 22: <Quantity(47.947947, 'amu')>, 23: <Quantity(50.943964, 'amu')>, 24: <Quantity(51.940512, 'amu')>, 25: <Quantity(54.93805, 'amu')>, 26: <Quantity(55.934942, 'amu')>, 27: <Quantity(58.9332, 'amu')>, 28: <Quantity(57.935348, 'amu')>, 29: <Quantity(62.929601, 'amu')>, 30: <Quantity(63.929147, 'amu')>, 31: <Quantity(68.925581, 'amu')>, 32: <Quantity(73.921178, 'amu')>, 33: <Quantity(74.921596, 'amu')>, 34: <Quantity(79.916522, 'amu')>, 35: <Quantity(78.918338, 'amu')>, 36: <Quantity(83.911507, 'amu')>, 37: <Quantity(84.911789, 'amu')>, 38: <Quantity(87.905614, 'amu')>, 39: <Quantity(88.905848, 'amu')>, 40: <Quantity(89.904704, 'amu')>, 41: <Quantity(92.906378, 'amu')>, 42: <Quantity(97.905408, 'amu')>, 43: <Quantity(97.907216, 'amu')>, 44: <Quantity(101.90435, 'amu')>, 45: <Quantity(102.905504, 'amu')>, 46: <Quantity(107.903894, 'amu')>, 47: <Quantity(106.905093, 'amu')>, 48: <Quantity(113.903358, 'amu')>, 49: <Quantity(114.903878, 'amu')>, 50: <Quantity(119.902197, 'amu')>, 51: <Quantity(120.903818, 'amu')>, 52: <Quantity(129.906223, 'amu')>, 53: <Quantity(126.904468, 'amu')>, 54: <Quantity(131.904154, 'amu')>, 'H': <Quantity(1.007825, 'amu')>, 'P': <Quantity(30.973762, 'amu')>, 'Ge': <Quantity(73.921178, 'amu')>, 'Ga': <Quantity(68.925581, 'amu')>, 'Rb': <Quantity(84.911789, 'amu')>, 'Mg': <Quantity(23.985042, 'amu')>, 'Pd': <Quantity(107.903894, 'amu')>, 'Xe': <Quantity(131.904154, 'amu')>, 'Rh': <Quantity(102.905504, 'amu')>, 'Mo': <Quantity(97.905408, 'amu')>, 'He': <Quantity(4.002603, 'amu')>, 'C': <Quantity(12.0, 'amu')>, 'Be': <Quantity(9.012182, 'amu')>, 'K': <Quantity(38.963707, 'amu')>, 'Mn': <Quantity(54.93805, 'amu')>, 'O': <Quantity(15.994915, 'amu')>, 'S': <Quantity(31.972071, 'amu')>, 'Zn': <Quantity(63.929147, 'amu')>, 'Zr': <Quantity(89.904704, 'amu')>, 'Ni': <Quantity(57.935348, 'amu')>, 'Na': <Quantity(22.98977, 'amu')>, 'Nb': <Quantity(92.906378, 'amu')>, 'Ne': <Quantity(19.99244, 'amu')>, 'Fe': <Quantity(55.934942, 'amu')>, 'B': <Quantity(11.009305, 'amu')>, 'Br': <Quantity(78.918338, 'amu')>, 'F': <Quantity(18.998403, 'amu')>, 'Sr': <Quantity(87.905614, 'amu')>, 'N': <Quantity(14.003074, 'amu')>, 'Kr': <Quantity(83.911507, 'amu')>, 'Si': <Quantity(27.976927, 'amu')>, 'Sn': <Quantity(119.902197, 'amu')>, 'V': <Quantity(50.943964, 'amu')>, 'Sc': <Quantity(44.95591, 'amu')>, 'Sb': <Quantity(120.903818, 'amu')>, 'Se': <Quantity(79.916522, 'amu')>, 'Co': <Quantity(58.9332, 'amu')>, 'Cl': <Quantity(34.968853, 'amu')>, 'Ca': <Quantity(39.962591, 'amu')>, 'Cd': <Quantity(113.903358, 'amu')>, 'Ru': <Quantity(101.90435, 'amu')>, 'Cr': <Quantity(51.940512, 'amu')>, 'Cu': <Quantity(62.929601, 'amu')>, 'Li': <Quantity(7.016004, 'amu')>, 'Ti': <Quantity(47.947947, 'amu')>, 'Te': <Quantity(129.906223, 'amu')>, 'Tc': <Quantity(97.907216, 'amu')>, 'I': <Quantity(126.904468, 'amu')>, 'Y': <Quantity(88.905848, 'amu')>, 'Ag': <Quantity(106.905093, 'amu')>, 'Al': <Quantity(26.981538, 'amu')>, 'As': <Quantity(74.921596, 'amu')>, 'Ar': <Quantity(39.962383, 'amu')>, 'In': <Quantity(114.903878, 'amu')>, -1: <Quantity(-1.0, 'amu')>}¶
6.3.4. ATOMIC_NUMBERS¶
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data.ATOMIC_NUMBERS= {'Ru': 44, 'Re': 75, 'Rf': 104, 'Rg': 111, 'Ra': 88, 'Rb': 37, 'Rn': 86, 'Rh': 45, 'Be': 4, 'Ba': 56, 'Bh': 107, 'Bi': 83, 'Bk': 97, 'Br': 35, 'Uuh': 116, 'H': 1, 'P': 15, 'Os': 76, 'Hg': 80, 'Ge': 32, 'Gd': 64, 'Ga': 31, 'Pr': 59, 'Pt': 78, 'Pu': 94, 'C': 6, 'Pb': 82, 'Pa': 91, 'Pd': 46, 'Xe': 54, 'Po': 84, 'Pm': 61, 'Hs': 108, 'Uuq': 114, 'Uup': 115, 'Uus': 117, 'Uuo': 118, 'Ho': 67, 'Hf': 72, 'Mo': 42, 'He': 2, 'Md': 101, 'Mg': 12, 'K': 19, 'Mn': 25, 'O': 8, 'Mt': 109, 'S': 16, 'W': 74, 'Zn': 30, 'Eu': 63, 'Es': 99, 'Er': 68, 'Ni': 28, 'No': 102, 'Na': 11, 'Nb': 41, 'Nd': 60, 'Ne': 10, 'Np': 93, 'Fr': 87, 'Fe': 26, 'Fm': 100, 'B': 5, 'F': 9, 'Sr': 38, 'N': 7, 'Kr': 36, 'Si': 14, 'Sn': 50, 'Sm': 62, 'V': 23, 'Sc': 21, 'Sb': 51, 'Sg': 106, 'Se': 34, 'Co': 27, 'Cn': 112, 'Cm': 96, 'Cl': 17, 'Ca': 20, 'Cf': 98, 'Ce': 58, 'Cd': 48, 'Tm': 69, 'Cs': 55, 'Cr': 24, 'Cu': 29, 'La': 57, 'Li': 3, 'Tl': 81, 'Lu': 71, 'Lr': 103, 'Th': 90, 'Ti': 22, 'Te': 52, 'Tb': 65, 'Tc': 43, 'Ta': 73, 'Yb': 70, 'Db': 105, 'Zr': 40, 'Dy': 66, 'Ds': 110, 'I': 53, 'U': 92, 'Y': 39, 'Ac': 89, 'Ag': 47, 'Uut': 113, 'Ir': 77, 'Am': 95, 'Al': 13, 'As': 33, 'Ar': 18, 'Au': 79, 'At': 85, 'In': 49}¶
6.3.5. BACKBONES¶
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data.BACKBONES= {'protein': set(['C', 'HA3', 'OXT', 'H', 'CA', 'O', 'N', 'H2', 'H3', 'HA2', 'HA']), 'dna': set(["H4'", "HO3'", "H5'", 'OP1', 'OP2', "H2''", "C1'", "C3'", "O5'", "O4'", "C5'", 'P', "H5''", "C4'", "C2'", "H3'", "H2'", "HO5'", "O3'", "H1'"])}¶
6.3.8. CHAIN_MONOMER_NAMES¶
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data.CHAIN_MONOMER_NAMES= {'solvent': 'solvent', 'water': 'water', 'ion': 'ion', 'dna': 'dna base', 'protein': 'amino acid', 'unkonwn': 'small molecule'}¶
6.3.9. COLOR_LIST¶
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data.COLOR_LIST= ['lightgreen', 'lightblue', 'lightgrey', 'yellow', 'orange', 'purple', 'IndianRed', 'PaleTurquoise', 'OldLace', 'Thistle', 'pink']¶
6.3.10. DBASES¶
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data.DBASES= ['DC', 'DT', 'DG', 'DU', 'DA', 'DI', 'DC5', 'DT5', 'DG5', 'DU5', 'DA5', 'DI5', 'DC3', 'DT3', 'DG3', 'DU3', 'DA3', 'DI3']¶
6.3.11. DEFAULT_FORCE_TOLERANCE¶
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data.DEFAULT_FORCE_TOLERANCE= <Quantity(0.00514220566583, 'eV / ang')>¶
6.3.12. ELEMENTS¶
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data.ELEMENTS= {1: 'H', 2: 'He', 3: 'Li', 4: 'Be', 5: 'B', 6: 'C', 7: 'N', 8: 'O', 9: 'F', 10: 'Ne', 11: 'Na', 12: 'Mg', 13: 'Al', 14: 'Si', 15: 'P', 16: 'S', 17: 'Cl', 18: 'Ar', 19: 'K', 20: 'Ca', 21: 'Sc', 22: 'Ti', 23: 'V', 24: 'Cr', 25: 'Mn', 26: 'Fe', 27: 'Co', 28: 'Ni', 29: 'Cu', 30: 'Zn', 31: 'Ga', 32: 'Ge', 33: 'As', 34: 'Se', 35: 'Br', 36: 'Kr', 37: 'Rb', 38: 'Sr', 39: 'Y', 40: 'Zr', 41: 'Nb', 42: 'Mo', 43: 'Tc', 44: 'Ru', 45: 'Rh', 46: 'Pd', 47: 'Ag', 48: 'Cd', 49: 'In', 50: 'Sn', 51: 'Sb', 52: 'Te', 53: 'I', 54: 'Xe', 55: 'Cs', 56: 'Ba', 57: 'La', 58: 'Ce', 59: 'Pr', 60: 'Nd', 61: 'Pm', 62: 'Sm', 63: 'Eu', 64: 'Gd', 65: 'Tb', 66: 'Dy', 67: 'Ho', 68: 'Er', 69: 'Tm', 70: 'Yb', 71: 'Lu', 72: 'Hf', 73: 'Ta', 74: 'W', 75: 'Re', 76: 'Os', 77: 'Ir', 78: 'Pt', 79: 'Au', 80: 'Hg', 81: 'Tl', 82: 'Pb', 83: 'Bi', 84: 'Po', 85: 'At', 86: 'Rn', 87: 'Fr', 88: 'Ra', 89: 'Ac', 90: 'Th', 91: 'Pa', 92: 'U', 93: 'Np', 94: 'Pu', 95: 'Am', 96: 'Cm', 97: 'Bk', 98: 'Cf', 99: 'Es', 100: 'Fm', 101: 'Md', 102: 'No', 103: 'Lr', 104: 'Rf', 105: 'Db', 106: 'Sg', 107: 'Bh', 108: 'Hs', 109: 'Mt', 110: 'Ds', 111: 'Rg', 112: 'Cn', 113: 'Uut', 114: 'Uuq', 115: 'Uup', 116: 'Uuh', 117: 'Uus', 118: 'Uuo'}¶
6.3.13. IONS¶
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data.IONS= {'MG': 'Mg+2', 'Br': 'Br-', 'F': 'F-', 'I': 'I-', 'NA': 'Na+', 'K': 'K+', 'Cl': 'Cl-', 'CA': 'Ca+2'}¶
6.3.14. NUCLEIC_NAMES¶
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data.NUCLEIC_NAMES= {'A': 'Adenine', 'C': 'Cytosine', 'G': 'Guanine', 'I': 'Inosine', 'U': 'Uracil', 'T': 'Thymine'}¶
6.3.15. PACKAGEPATH¶
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data.PACKAGEPATH= '/Users/aaronvirshup/mycode/molecular-design-toolkit/moldesign'¶
6.3.16. RBASES¶
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data.RBASES= ['RC', 'RT', 'RG', 'RU', 'RA', 'RI', 'RC5', 'RT5', 'RG5', 'RU5', 'RA5', 'RI5', 'RC3', 'RT3', 'RG3', 'RU3', 'RA3', 'RI3']¶
6.3.18. RESIDUE_DESCRIPTIONS¶
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data.RESIDUE_DESCRIPTIONS= {'CLysine': 'Lysine (C-terminal)', 'ILE': 'Isoleucine', 'NSerine': 'Serine (N-terminal)', 'GLN': 'Glutamine', 'CUndetermined': 'Undetermined (C-terminal)', 'GLX': 'GLU/GLN ambiguous', 'GLY': 'Glycine', 'CCysteine': 'Cysteine (C-terminal)', 'RU3': "Uracil (RNA, 3'-end)", 'GLU': 'Glutamic acid', 'CValine': 'Valine (C-terminal)', 'RT': 'Thymine (RNA)', 'RU': 'Uracil (RNA)', 'ASP': 'Aspartic acid', 'DC5': "Cytosine (DNA, 5'-end)", 'SER': 'Serine', 'LYS': 'Lysine', 'CGLU/GLN ambiguous': 'GLU/GLN ambiguous (C-terminal)', 'PRO': 'Proline', 'ASX': 'ASP/ASN ambiguous', 'CAspartic acid': 'Aspartic acid (C-terminal)', 'RG': 'Guanine (RNA)', 'NHistidine ion': 'Histidine ion (N-terminal)', 'RC': 'Cytosine (RNA)', 'NValine': 'Valine (N-terminal)', 'NLysine': 'Lysine (N-terminal)', 'ASN': 'Asparagine', 'CHistidine delta tautomer': 'Histidine delta tautomer (C-terminal)', 'RA': 'Adenine (RNA)', 'CLeucine': 'Leucine (C-terminal)', 'VAL': 'Valine', 'DU5': "Uracil (DNA, 5'-end)", 'RI5': "Inosine (RNA, 5'-end)", 'CMethionine': 'Methionine (C-terminal)', 'THR': 'Threonine', 'NGlycine': 'Glycine (N-terminal)', 'CASP/ASN ambiguous': 'ASP/ASN ambiguous (C-terminal)', 'CAsparagine': 'Asparagine (C-terminal)', 'NArginine': 'Arginine (N-terminal)', 'RA5': "Adenine (RNA, 5'-end)", 'CHistidine epsilon tautomer': 'Histidine epsilon tautomer (C-terminal)', 'T': 'Thymine', 'NTryptophan': 'Tryptophan (N-terminal)', 'DG5': "Guanine (DNA, 5'-end)", 'UNK': 'Undetermined', 'DC3': "Cytosine (DNA, 3'-end)", 'DG3': "Guanine (DNA, 3'-end)", 'NASP/ASN ambiguous': 'ASP/ASN ambiguous (N-terminal)', 'DU3': "Uracil (DNA, 3'-end)", 'CGlycine': 'Glycine (C-terminal)', 'NAlanine': 'Alanine (N-terminal)', 'CGlutamic acid': 'Glutamic acid (C-terminal)', 'CPhenylalanine': 'Phenylalanine (C-terminal)', 'CTryptophan': 'Tryptophan (C-terminal)', 'PHE': 'Phenylalanine', 'ALA': 'Alanine', 'MET': 'Methionine', 'CProline': 'Proline (C-terminal)', 'LEU': 'Leucine', 'NThreonine': 'Threonine (N-terminal)', 'RI': 'Inosine (RNA)', 'TYR': 'Tyrosine', 'NAsparagine': 'Asparagine (N-terminal)', 'DI': 'Inosine (DNA)', 'DG': 'Guanine (DNA)', 'DU': 'Uracil (DNA)', 'NIsoleucine': 'Isoleucine (N-terminal)', 'DA': 'Adenine (DNA)', 'NProline': 'Proline (N-terminal)', 'NHistidine epsilon tautomer': 'Histidine epsilon tautomer (N-terminal)', 'NLeucine': 'Leucine (N-terminal)', 'DT': 'Thymine (DNA)', 'CArginine': 'Arginine (C-terminal)', 'NGLU/GLN ambiguous': 'GLU/GLN ambiguous (N-terminal)', 'HIP': 'Histidine ion', 'HIS': 'Histidine', 'DI3': "Inosine (DNA, 3'-end)", 'CIsoleucine': 'Isoleucine (C-terminal)', 'HID': 'Histidine delta tautomer', 'HIE': 'Histidine epsilon tautomer', 'RC3': "Cytosine (RNA, 3'-end)", 'RI3': "Inosine (RNA, 3'-end)", 'RU5': "Uracil (RNA, 5'-end)", 'CAlanine': 'Alanine (C-terminal)', 'A': 'Adenine', 'CYS': 'Cysteine', 'NAspartic acid': 'Aspartic acid (N-terminal)', 'G': 'Guanine', 'I': 'Inosine', 'CThreonine': 'Threonine (C-terminal)', 'NCysteine': 'Cysteine (N-terminal)', 'CGlutamine': 'Glutamine (C-terminal)', 'DA5': "Adenine (DNA, 5'-end)", 'NGlutamine': 'Glutamine (N-terminal)', 'NHistidine': 'Histidine (N-terminal)', 'U': 'Uracil', 'RT3': "Thymine (RNA, 3'-end)", 'DA3': "Adenine (DNA, 3'-end)", 'CSerine': 'Serine (C-terminal)', 'TRP': 'Tryptophan', 'CHistidine': 'Histidine (C-terminal)', 'RT5': "Thymine (RNA, 5'-end)", 'RG3': "Guanine (RNA, 3'-end)", 'NTyrosine': 'Tyrosine (N-terminal)', 'RG5': "Guanine (RNA, 5'-end)", 'CHistidine ion': 'Histidine ion (C-terminal)', 'CTyrosine': 'Tyrosine (C-terminal)', 'C': 'Cytosine', 'RC5': "Cytosine (RNA, 5'-end)", 'NHistidine delta tautomer': 'Histidine delta tautomer (N-terminal)', 'NGlutamic acid': 'Glutamic acid (N-terminal)', 'NUndetermined': 'Undetermined (N-terminal)', 'NMethionine': 'Methionine (N-terminal)', 'NPhenylalanine': 'Phenylalanine (N-terminal)', 'ARG': 'Arginine', 'DT3': "Thymine (DNA, 3'-end)", 'DI5': "Inosine (DNA, 5'-end)", 'DC': 'Cytosine (DNA)', 'DT5': "Thymine (DNA, 5'-end)", 'RA3': "Adenine (RNA, 3'-end)"}¶
6.3.19. RESIDUE_ONE_LETTER¶
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data.RESIDUE_ONE_LETTER= {'ILE': 'I', 'GLN': 'Q', 'THR': 'T', 'GLX': 'Z', 'GLY': 'G', 'ASP': 'D', 'TRP': 'W', 'XAA': 'X', 'GLU': 'E', 'CYS': 'C', 'HIS': 'H', 'SER': 'S', 'LYS': 'K', 'PRO': 'P', 'ASX': 'B', 'PHE': 'F', 'ALA': 'A', 'MET': 'M', 'LEU': 'L', 'ARG': 'R', 'VAL': 'V', 'ASN': 'N', 'TYR': 'Y'}¶
6.3.20. RESIDUE_TYPES¶
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data.RESIDUE_TYPES= {'ILE': 'protein', 'ASN': 'protein', 'GLN': 'protein', 'DI': 'dna', 'DG': 'dna', 'UNK': 'protein', 'DA3': 'dna', 'ASP': 'protein', 'DC': 'dna', 'DA': 'dna', 'GLX': 'protein', 'GLY': 'protein', 'RU3': 'rna', 'DT': 'dna', 'DU': 'dna', 'GLU': 'protein', 'RU5': 'rna', 'RT': 'rna', 'RU': 'rna', 'HIS': 'protein', 'SER': 'protein', 'LYS': 'protein', 'LEU': 'protein', 'NA': 'ions', 'PRO': 'protein', 'ASX': 'protein', 'ALA': 'protein', 'RG': 'rna', 'HID': 'protein', 'RA': 'rna', 'Br': 'ions', 'RC3': 'rna', 'DU3': 'dna', 'CA': 'ions', 'HIE': 'protein', 'CYS': 'protein', 'HIP': 'protein', 'VAL': 'protein', 'F': 'ions', 'I': 'ions', 'RC': 'rna', 'K': 'ions', 'RI5': 'rna', 'RI3': 'rna', 'HOH': 'water', 'THR': 'protein', 'RT5': 'rna', 'DA5': 'dna', 'RA5': 'rna', 'RA3': 'rna', 'RT3': 'rna', 'DG5': 'dna', 'TRP': 'protein', 'DC5': 'dna', 'DC3': 'dna', 'DG3': 'dna', 'MG': 'ions', 'RG3': 'rna', 'RG5': 'rna', 'Cl': 'ions', None: 'placeholder', 'RC5': 'rna', 'PHE': 'protein', 'DU5': 'dna', 'MET': 'protein', 'H2O': 'water', 'TYR': 'protein', 'ARG': 'protein', 'DT3': 'dna', 'DI5': 'dna', 'RI': 'rna', 'DT5': 'dna', 'DI3': 'dna'}¶
6.3.21. RESTYPES¶
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data.RESTYPES= {'water': set(['H2O', 'HOH']), 'ions': set(['MG', 'F', 'I', 'NA', 'K', 'Cl', 'Br', 'CA']), 'solvent': set([]), 'dna': set(['DC5', 'DI', 'DG', 'DA3', 'DC', 'DC3', 'DA', 'DG3', 'DA5', 'DG5', 'DT3', 'DI5', 'DT', 'DU', 'DU3', 'DU5', 'DT5', 'DI3']), 'unknown': set([]), 'rna': set(['RT', 'RU', 'RG3', 'RG5', 'RC5', 'RI5', 'RI3', 'RA3', 'RC3', 'RT5', 'RA5', 'RG', 'RA', 'RT3', 'RC', 'RU3', 'RI', 'RU5']), 'protein': set(['HIP', 'ILE', 'GLN', 'THR', 'GLX', 'GLY', 'HIS', 'TRP', 'UNK', 'GLU', 'CYS', 'ASP', 'SER', 'LYS', 'PRO', 'ASX', 'PHE', 'ALA', 'MET', 'HID', 'HIE', 'ARG', 'VAL', 'ASN', 'TYR', 'LEU'])}¶
6.3.22. SYMBOLS¶
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data.SYMBOLS= {1: 'H', 2: 'He', 3: 'Li', 4: 'Be', 5: 'B', 6: 'C', 7: 'N', 8: 'O', 9: 'F', 10: 'Ne', 11: 'Na', 12: 'Mg', 13: 'Al', 14: 'Si', 15: 'P', 16: 'S', 17: 'Cl', 18: 'Ar', 19: 'K', 20: 'Ca', 21: 'Sc', 22: 'Ti', 23: 'V', 24: 'Cr', 25: 'Mn', 26: 'Fe', 27: 'Co', 28: 'Ni', 29: 'Cu', 30: 'Zn', 31: 'Ga', 32: 'Ge', 33: 'As', 34: 'Se', 35: 'Br', 36: 'Kr', 37: 'Rb', 38: 'Sr', 39: 'Y', 40: 'Zr', 41: 'Nb', 42: 'Mo', 43: 'Tc', 44: 'Ru', 45: 'Rh', 46: 'Pd', 47: 'Ag', 48: 'Cd', 49: 'In', 50: 'Sn', 51: 'Sb', 52: 'Te', 53: 'I', 54: 'Xe', 55: 'Cs', 56: 'Ba', 57: 'La', 58: 'Ce', 59: 'Pr', 60: 'Nd', 61: 'Pm', 62: 'Sm', 63: 'Eu', 64: 'Gd', 65: 'Tb', 66: 'Dy', 67: 'Ho', 68: 'Er', 69: 'Tm', 70: 'Yb', 71: 'Lu', 72: 'Hf', 73: 'Ta', 74: 'W', 75: 'Re', 76: 'Os', 77: 'Ir', 78: 'Pt', 79: 'Au', 80: 'Hg', 81: 'Tl', 82: 'Pb', 83: 'Bi', 84: 'Po', 85: 'At', 86: 'Rn', 87: 'Fr', 88: 'Ra', 89: 'Ac', 90: 'Th', 91: 'Pa', 92: 'U', 93: 'Np', 94: 'Pu', 95: 'Am', 96: 'Cm', 97: 'Bk', 98: 'Cf', 99: 'Es', 100: 'Fm', 101: 'Md', 102: 'No', 103: 'Lr', 104: 'Rf', 105: 'Db', 106: 'Sg', 107: 'Bh', 108: 'Hs', 109: 'Mt', 110: 'Ds', 111: 'Rg', 112: 'Cn', 113: 'Uut', 114: 'Uuq', 115: 'Uup', 116: 'Uuh', 117: 'Uus', 118: 'Uuo'}¶
6.3.23. _bondfilename¶
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data._bondfilename= '/Users/aaronvirshup/mycode/molecular-design-toolkit/moldesign/_static_data/residue_bonds'¶
6.3.27. color_rotation¶
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data.color_rotation= [u'#90ee90', u'#add8e6', u'#d3d3d3', u'#ffff00', u'#ffa500', u'#800080', u'#cd5c5c', u'#afeeee', u'#fdf5e6', u'#d8bfd8', u'#ffc0cb']¶