termAnalysis |
index |
Tools to aid in reporting on and analyzing pot.Pot terms
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Data | ||
extraStats = {'DiffPot': [ExtraStatsInfo(name='Optimized Temperature, [K]'... 0x7fe0b975fec0>, supportsList=True, precision=3)], 'NOEPot': [ExtraStatsInfo(name='Corr.', function=<function ...0x7fe0b8a6ad40>, supportsList=False, precision=3)], 'PRE': [ExtraStatsInfo(name='Q-factor', function=<functi... 0x7fe0b97658a0>, supportsList=True, precision=3), ExtraStatsInfo(name='correlation', function=<fun... 0x7fe0b9765940>, supportsList=True, precision=3), ExtraStatsInfo(name='tau_c', function=<function ... 0x7fe0b97667a0>, supportsList=True, precision=3)], 'RDCPot1': [ExtraStatsInfo(name='R-fac', function=<function ...0x7fe0b9b41e40>, supportsList=False, precision=3), ExtraStatsInfo(name='R-infinite', function=<func...0x7fe0b9b41ee0>, supportsList=False, precision=3), ExtraStatsInfo(name='Chi^2', function=<function ...0x7fe0b9b42020>, supportsList=False, precision=3), ExtraStatsInfo(name='Correlation', function=<fun...0x7fe0b9b41da0>, supportsList=False, precision=3), ExtraStatsInfo(name='Da', function=<function Da at 0x7fe0b9b2b740>, supportsList=False, precision=3), ExtraStatsInfo(name='Rhombicity', function=<func...0x7fe0b9b2b7e0>, supportsList=False, precision=3)], 'SolnScatPot': [ExtraStatsInfo(name='Chi^2', function=<function ...0x7fe0b8a9c5e0>, supportsList=False, precision=3)], 'VarTensor': [ExtraStatsInfo(name='RDC R-fac', function=<funct...0x7fe0b975f380>, supportsList=False, precision=3), ExtraStatsInfo(name='RDC Chi^2', function=<funct...0x7fe0b975f420>, supportsList=False, precision=3)]} registeredTerms = [TermEntry(func=<function RDC_analyze at 0x7fe0b9...ficient between calculated and observed RDCs.\n"), TermEntry(func=<function analyze at 0x7fe0b9b497...n different\n ensemble members.\n'), TermEntry(func=<function VarTensor_analyze at 0x...047 (1999).]\n\n\n '), TermEntry(func=<function analyze at 0x7fe0b975fe...xes," J. Am. Chem. Soc. 131, 9522-9531 (2009)\n'), TermEntry(func=<function analyze at 0x7fe0b9765f...n J. Am. Chem. Soc. 126, 5879-5896 (2004).\n'), TermEntry(func=<function CSA_analyze at 0x7fe0b9...eholders not containing\nuseful information. \n'), TermEntry(func=<function analyze at 0x7fe0b8aad8... - the number of violated restraints.\n \n'), TermEntry(func=<function analyze at 0x7fe0b8a696...between calculated and observed\nis reported.\n'), TermEntry(func=<function analyze at 0x7fe0b8a6ad...ion between calculated and observed distances\n'), TermEntry(func=<function analyze at 0x7fe0b8a9c4... of I_i.\n\n ')] registeringModules = ['anglePot', 'ccrPotTools', 'csaPotTools', 'cstMagTools', 'diffPotTools', 'distSymmTools', 'ensWeightsTools', 'globDiffPotTools', 'gyrPotTools', 'h3JNCPot', 'hbPotTools', 'hmxPotTools', 'jCoupPotTools', 'nbTargetPotTools', 'noePotTools', 'orderPotTools', 'posRMSDPotTools', 'planeDistTools', 'posDiffPotTools', 'prePotTools', ...] |