|
|
_newclass = 1
|
|
|
MMLIC3_JAGUAR_MAIN = 0
|
|
|
MMLIC3_JAGUAR_PKA = 1
|
|
|
MMLIC3_JAGUAR_PARALLEL = 2
|
|
|
MMLIC3_JAGUAR_QSITE = 3
|
|
|
MMLIC3_MMOD_MACROMODEL = 4
|
|
|
MMLIC3_MMOD_MINTA = 5
|
|
|
MMLIC3_MMOD_XCLUSTER = 6
|
|
|
MMLIC3_MMOD_LIGPREP = 7
|
|
|
MMLIC3_MMOD_MBAE = 8
|
|
|
MMLIC3_MMOD_CONFGEN = 9
|
|
|
MMLIC3_MOPAC_MAIN = 10
|
|
|
MMLIC3_IMPACT_MAIN = 11
|
|
|
MMLIC3_IMPACT_GLIDE = 12
|
|
|
MMLIC3_IMPACT_GLIDE_DESOLV = 13
|
|
|
MMLIC3_IMPACT_LIAISON = 14
|
|
|
MMLIC3_IMPACT_QSITE = 15
|
|
|
MMLIC3_IMPACT_PFF = 16
|
|
|
MMLIC3_IMPACT_COMBIGLIDE = 17
|
|
|
MMLIC3_GLIDE_XP_DESC = 18
|
|
|
MMLIC3_GLIDE_PRIMEX_LIGFIT = 19
|
|
|
MMLIC3_GLIDE_MAIN = 20
|
|
|
MMLIC3_GLIDE_SP_DOCKING = 21
|
|
|
MMLIC3_GLIDE_XP_DOCKING = 22
|
|
|
MMLIC3_GLIDE_DOCKING = 23
|
|
|
MMLIC3_LIAISON_MAIN = 24
|
|
|
MMLIC3_QIKPROP_MAIN = 25
|
|
|
MMLIC3_QIKPROP_QIKFIT = 26
|
|
|
MMLIC3_QIKPROP_QIKSIM = 27
|
|
|
MMLIC3_PSP_SSP = 28
|
|
|
MMLIC3_PSP_STA = 29
|
|
|
MMLIC3_PSP_FR = 30
|
|
|
MMLIC3_PSP_BB = 31
|
|
|
MMLIC3_PSP_RB = 32
|
|
|
MMLIC3_PSP_PLOP = 33
|
|
|
MMLIC3_PSP_SKA = 34
|
|
|
MMLIC3_PSP_PLOP_MEMBRANE = 35
|
|
|
MMLIC3_PSP_STA_GPCR = 36
|
|
|
MMLIC3_PRIMEX_MAIN = 37
|
|
|
MMLIC3_PRIMEX_LIGPREP_EPIK = 38
|
|
|
MMLIC3_MAESTRO_MAIN = 39
|
|
|
MMLIC3_MAESTRO_WINDOWS = 40
|
|
|
MMLIC3_MAESTRO_FREE = 41
|
|
|
MMLIC3_MAESTRO_ELEMENTS = 42
|
|
|
MMLIC3_FFLD_OPLS2007 = 43
|
|
|
MMLIC3_FFLD_SERVER = 44
|
|
|
MMLIC3_FFLD_OPLS2007_PRINT = 45
|
|
|
MMLIC3_FFLD_OPLS2008 = 46
|
|
|
MMLIC3_FFLD_DEVELOPMENT = 47
|
|
|
MMLIC3_FFLD_OPLS2008_PRINT = 48
|
|
|
MMLIC3_PHASE_FEATURE = 49
|
|
|
MMLIC3_PHASE_PARTITION = 50
|
|
|
MMLIC3_PHASE_SCORING = 51
|
|
|
MMLIC3_PHASE_DBCREATE = 52
|
|
|
MMLIC3_PHASE_DBSEARCH = 53
|
|
|
MMLIC3_PHASE_QSAR = 54
|
|
|
MMLIC3_PHASE_SELECTIVITY = 55
|
|
|
MMLIC3_MMLIBS = 56
|
|
|
MMLIC3_STRIKE_MAIN = 57
|
|
|
MMLIC3_EPIK_MAIN = 58
|
|
|
MMLIC3_EPIK_CYP = 59
|
|
|
MMLIC3_GLIDE_COMBIGLIDE = 60
|
|
|
MMLIC3_COMBIGLIDE_MAIN = 61
|
|
|
MMLIC3_LIGPREP_MAIN = 62
|
|
|
MMLIC3_SITEMAP_MAIN = 63
|
|
|
MMLIC3_DESMOND_MAIN = 64
|
|
|
MMLIC3_DESMOND_WATERMAP = 65
|
|
|
MMLIC3_WATERMAP_MAIN = 66
|
|
|
MMLIC3_WATERMAP_DEVELOPMENT = 67
|
|
|
MMLIC3_MCPRO_MAIN = 68
|
|
|
MMLIC3_KNIME_MAIN = 69
|
|
|
MMLIC3_CANVAS_MAIN = 70
|
|
|
MMLIC3_CANVAS_FULL = 71
|
|
|
MMLIC3_CANVAS_SHARED = 72
|
|
|
MMLIC3_CANVAS_ELEMENTS = 73
|
|
|
MMLIC3_GLIDE_CORE_HOPPING = 74
|
|
|
MMLIC3_PHASE_CORE_HOPPING = 75
|
|
|
MMLIC3_COMBIGLIDE_CORE_HOPPING = 76
|
|
|
MMLIC3_PHASE_FQSAR = 77
|
|
|
MMLIC3_MAESTRO_ELEMENTS_BASIC = 78
|
|
|
MMLIC3_MAESTRO_ELEMENTS_INTERMEDIATE = 79
|
|
|
MMLIC3_MAESTRO_ELEMENTS_ADVANCED = 80
|
|
|
MMLIC3_MAESTRO_ELEMENTS_CUSTOM = 81
|
|
|
MMLIC3_GLIDE_ELEMENTS = 82
|
|
|
MMLIC3_PHASE_ELEMENTS = 83
|
|
|
MMLIC3_FFLD_OPLS2011 = 84
|
|
|
MMLIC3_FFLD_OPLS2011_PRINT = 85
|
|
|
MMLIC3_FFLD_OPLS = 86
|
|
|
MMLIC3_FFLD_OPLS_PRINT = 87
|
|
|
MMLIC3_PSP_ADMET = 88
|
|
|
MMLIC3_BIOLUMINATE_MAIN = 89
|
|
|
MMLIC3_BIOLUMINATE_SHARED = 90
|
|
|
MMLIC3_BIOLUMINATE_PROTEIN_DOCKING = 91
|
|
|
MMLIC3_GLIDE_GPGPU = 92
|
|
|
MMLIC3_PSP_GPGPU = 93
|
|
|
MMLIC3_DEFAULT_TOKENS = -1
|
|
|
BIOLUMINATE_MAIN = 89
|
|
|
BIOLUMINATE_PROTEIN_DOCKING = 91
|
|
|
BIOLUMINATE_SHARED = 90
|
|
|
CANVAS_ELEMENTS = 73
|
|
|
CANVAS_FULL = 71
|
|
|
CANVAS_MAIN = 70
|
|
|
CANVAS_SHARED = 72
|
|
|
COMBIGLIDE_CORE_HOPPING = 76
|
|
|
COMBIGLIDE_MAIN = 61
|
|
|
DEFAULT_TOKENS = -1
|
|
|
DESMOND_MAIN = 64
|
|
|
DESMOND_WATERMAP = 65
|
|
|
EPIK_CYP = 59
|
|
|
EPIK_MAIN = 58
|
|
|
FFLD_DEVELOPMENT = 47
|
|
|
FFLD_OPLS = 86
|
|
|
FFLD_OPLS2007 = 43
|
|
|
FFLD_OPLS2007_PRINT = 45
|
|
|
FFLD_OPLS2008 = 46
|
|
|
FFLD_OPLS2008_PRINT = 48
|
|
|
FFLD_OPLS2011 = 84
|
|
|
FFLD_OPLS2011_PRINT = 85
|
|
|
FFLD_OPLS_PRINT = 87
|
|
|
FFLD_SERVER = 44
|
|
|
GLIDE_COMBIGLIDE = 60
|
|
|
GLIDE_CORE_HOPPING = 74
|
|
|
GLIDE_DOCKING = 23
|
|
|
GLIDE_ELEMENTS = 82
|
|
|
GLIDE_GPGPU = 92
|
|
|
GLIDE_MAIN = 20
|
|
|
GLIDE_PRIMEX_LIGFIT = 19
|
|
|
GLIDE_SP_DOCKING = 21
|
|
|
GLIDE_XP_DESC = 18
|
|
|
GLIDE_XP_DOCKING = 22
|
|
|
IMPACT_COMBIGLIDE = 17
|
|
|
IMPACT_GLIDE = 12
|
|
|
IMPACT_GLIDE_DESOLV = 13
|
|
|
IMPACT_LIAISON = 14
|
|
|
IMPACT_MAIN = 11
|
|
|
IMPACT_PFF = 16
|
|
|
IMPACT_QSITE = 15
|
|
|
JAGUAR_MAIN = 0
|
|
|
JAGUAR_PARALLEL = 2
|
|
|
JAGUAR_PKA = 1
|
|
|
JAGUAR_QSITE = 3
|
|
|
KNIME_MAIN = 69
|
|
|
LIAISON_MAIN = 24
|
|
|
LIGPREP_MAIN = 62
|
|
|
MAESTRO_ELEMENTS = 42
|
|
|
MAESTRO_ELEMENTS_ADVANCED = 80
|
|
|
MAESTRO_ELEMENTS_BASIC = 78
|
|
|
MAESTRO_ELEMENTS_CUSTOM = 81
|
|
|
MAESTRO_ELEMENTS_INTERMEDIATE = 79
|
|
|
MAESTRO_FREE = 41
|
|
|
MAESTRO_MAIN = 39
|
|
|
MAESTRO_WINDOWS = 40
|
|
|
MCPRO_MAIN = 68
|
|
|
MMLIBS = 56
|
|
|
MMOD_CONFGEN = 9
|
|
|
MMOD_LIGPREP = 7
|
|
|
MMOD_MACROMODEL = 4
|
|
|
MMOD_MBAE = 8
|
|
|
MMOD_MINTA = 5
|
|
|
MMOD_XCLUSTER = 6
|
|
|
MOPAC_MAIN = 10
|
|
|
PHASE_CORE_HOPPING = 75
|
|
|
PHASE_DBCREATE = 52
|
|
|
PHASE_DBSEARCH = 53
|
|
|
PHASE_ELEMENTS = 83
|
|
|
PHASE_FEATURE = 49
|
|
|
PHASE_FQSAR = 77
|
|
|
PHASE_PARTITION = 50
|
|
|
PHASE_QSAR = 54
|
|
|
PHASE_SCORING = 51
|
|
|
PHASE_SELECTIVITY = 55
|
|
|
PRIMEX_LIGPREP_EPIK = 38
|
|
|
PRIMEX_MAIN = 37
|
|
|
PSP_ADMET = 88
|
|
|
PSP_BB = 31
|
|
|
PSP_FR = 30
|
|
|
PSP_GPGPU = 93
|
|
|
PSP_PLOP = 33
|
|
|
PSP_PLOP_MEMBRANE = 35
|
|
|
PSP_RB = 32
|
|
|
PSP_SKA = 34
|
|
|
PSP_SSP = 28
|
|
|
PSP_STA = 29
|
|
|
PSP_STA_GPCR = 36
|
|
|
QIKPROP_MAIN = 25
|
|
|
QIKPROP_QIKFIT = 26
|
|
|
QIKPROP_QIKSIM = 27
|
|
|
SITEMAP_MAIN = 63
|
|
|
STRIKE_MAIN = 57
|
|
|
WATERMAP_DEVELOPMENT = 67
|
|
|
WATERMAP_MAIN = 66
|
|
|
__package__ = 'schrodinger.infra' |