torsionTools |
index |
Tools for manipulating torsion angles
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Data | ||
RotAngleName = {} angleBins = {} argv = ['/home/schwitrs/bzr-repo/xplor-python3/bin/xplor', 'xplorDoc', '-w', 'xplor', 'ivm', 'monteCarlo', 'trace', 'trajFile', 'selectLogic', 'selectTools', 'xplorInit', 'vmdInter', 'checkWrap', 'hybridMC', 'atomAction', 'potCosAngleRatio', 'rdcPotTools', 'simulationTools', 'shapePotTools', 'pck2xplor', ...] binData = {'ASN_CHI2': (('0', 0), ('180', 180)), 'ASP_CHI2': (('0', 0), ('180', 180)), 'GLN_CHI3': (('0', 0), ('180', 180)), 'GLU_CHI3': (('0', 0), ('180', 180)), 'HIS_CHI2': (('+90', 90), ('-90', -90)), 'PHE_CHI2': (('+90', 90), ('-90', -90)), 'TRP_CHI2': (('+90', 90), ('-90', -90)), 'TYR_CHI2': (('+90', 90), ('-90', -90))} pi = 3.141592653589793 scTorsionAtoms = {'ALA': [], 'ARG': [('CHI1', ('N', 'CA', 'CB', 'CG')), ('CHI2', ('CA', 'CB', 'CG', 'CD')), ('CHI3', ('CB', 'CG', 'CD', 'NE')), ('CHI4', ('CG', 'CD', 'NE', 'CZ'))], 'ASN': [('CHI1', ('N', 'CA', 'CB', 'CG')), ('CHI2', ('CA', 'CB', 'CG', 'OD1'))], 'ASP': [('CHI1', ('N', 'CA', 'CB', 'CG')), ('CHI2', ('CA', 'CB', 'CG', 'OD1'))], 'CYS': [('CHI1', ('N', 'CA', 'CB', 'SG'))], 'GLN': [('CHI1', ('N', 'CA', 'CB', 'CG')), ('CHI2', ('CA', 'CB', 'CG', 'CD')), ('CHI3', ('CB', 'CG', 'CD', 'OE1'))], 'GLU': [('CHI1', ('N', 'CA', 'CB', 'CG')), ('CHI2', ('CA', 'CB', 'CG', 'CD')), ('CHI3', ('CB', 'CG', 'CD', 'OE1'))], 'GLY': [], 'HIS': [('CHI1', ('N', 'CA', 'CB', 'CG')), ('CHI2', ('CA', 'CB', 'CG', 'ND1'))], 'ILE': [('CHI1', ('N', 'CA', 'CB', 'CG1')), ('CHI21', ('CA', 'CB', 'CG1', 'CD1'))], ...} torStateCnt = {} torStateIndx = {} |