Module _mmutil'

[frames] | no frames]

Module _mmutil'

Functions

SWIG_PyInstanceMethod_New(...)

SwigPyIterator___add__(...)

SwigPyIterator___eq__(...)

SwigPyIterator___iadd__(...)

SwigPyIterator___isub__(...)

SwigPyIterator___ne__(...)

SwigPyIterator___next__(...)

SwigPyIterator___sub__(...)

SwigPyIterator_advance(...)

SwigPyIterator_copy(...)

SwigPyIterator_decr(...)

SwigPyIterator_distance(...)

SwigPyIterator_equal(...)

SwigPyIterator_incr(...)

SwigPyIterator_next(...)

SwigPyIterator_previous(...)

SwigPyIterator_swigregister(...)

SwigPyIterator_value(...)

_mmfile_get_constant(...)

_mmfile_get_filesep_char(...)

delete_SwigPyIterator(...)

feature_flag_default_state(...)

feature_flag_default_state_s(...)

feature_flag_is_enabled(...)

feature_flag_is_enabled_s(...)

feature_flag_user_state(...)

feature_flag_user_state_s(...)

feature_flags_get_nondefault_map(...)

feature_flags_parse_env(...)

feature_flags_set_user_state(...)

feature_flags_set_user_state_s(...)

get_appdata_release_dir(...)

mmfile_add_component(...)

mmfile_appdata_release_dir(...)

mmfile_close(...)

mmfile_close_directory(...)

mmfile_dir_current_get(...)

mmfile_dir_current_pop(...)

mmfile_dir_current_push(...)

mmfile_dir_current_set(...)

mmfile_dir_expand(...)

mmfile_dir_expand_buffer(...)

mmfile_dir_home(...)

mmfile_dir_user_home(...)

mmfile_dos_to_unix(...)

mmfile_dos_to_unix_convert(...)

mmfile_dos_to_unix_register(...)

mmfile_errhandler(...)

mmfile_exists(...)

mmfile_file_exists(...)

mmfile_file_get_dir(...)

mmfile_file_get_name(...)

mmfile_file_get_path(...)

mmfile_find(...)

mmfile_find_product_dir(...)

mmfile_free_component_string(...)

mmfile_get_config_dir(...)

mmfile_get_constant(...)

mmfile_get_desktop_dir(...)

mmfile_get_drivesep_char(...)

mmfile_get_filesep_char(...)

mmfile_get_last_component(...)

mmfile_get_mydocuments_dir(...)

mmfile_get_mynetworkplaces_dir(...)

mmfile_get_next_file(...)

mmfile_get_past_release_names(...)

mmfile_get_product_directory_names(...)

mmfile_get_product_version(...)

mmfile_get_release_name(...)

mmfile_get_schrodinger_support_error_mesg(...)

mmfile_get_schrodinger_temp(...)

mmfile_initialize(...)

mmfile_is_dosfile(...)

mmfile_md5_file(...)

mmfile_md5_filter(...)

mmfile_md5_string(...)

mmfile_mkdir(...)

mmfile_open(...)

mmfile_open_directory(...)

mmfile_parse_path(...)

mmfile_path_add(...)

mmfile_path_add_cwd(...)

mmfile_path_add_home(...)

mmfile_path_clear(...)

mmfile_path_get(...)

mmfile_path_is_absolute(...)

mmfile_path_localize(...)

mmfile_path_print(...)

mmfile_path_set(...)

mmfile_path_to_unix(...)

mmfile_refcount(...)

mmfile_remove_component(...)

mmfile_rm_recursive(...)

mmfile_schrodinger_appdata_dir(...)

mmfile_schrodinger_local_appdata_dir(...)

mmfile_schrodinger_userdata_dir(...)

mmfile_set_dir_filter(...)

mmfile_setup_openmpi(...)

mmfile_terminate(...)

mmfile_which(...)

Variables

BIOLUM_EPIT_IDENT = 0
hash(x)

CANVAS_PROCESS_MONOMER = 1

DATIVE_REFINEMENT_1 = 2

DESMOND_FUEL = 3
hash(x)

DUMMY_FEATURE_0 = 5

DUMMY_FEATURE_1 = 6

ELASTIC_CONSTANTS = 9

FEATURE_DISABLED = 0
hash(x)

FEATURE_ENABLED = 1

FEATURE_NOT_PRESENT = -1

FEP_CORE_HOPPING = 11

FEP_MAPPER_ALIGN_CORE_ONLY = 13

FEP_MAPPER_CHARGE = 14

FEP_MAPPER_POSITION_AND_BONDING = 12

HIERARCHICAL_PROJECT_TABLE = 19

IPYTHON_TERMINAL = 20

JAGUAR_BABEL1 = 23

JAGUAR_OMPI = 22

LIBUNWIND_PROFILER = 24

LIGAND_FEP_MENUS = 25

LIPID_FF = 26

MAESTROX = 27

MAESTRO_LINUX_PROFILER = 29

MMFFLD_StrPrep_SKIP_1Dto3D = 31

MMFFLD_StrPrep_SKIP_CGEN = 32

MMFFLD_StrPrep_SKIP_STR_PREP = 33

MMFFLD_USE_METAL_STRUCTURE_CLEANUP = 34

MMFILE_DIR = 1

MMFILE_DRIVESEP = ''

MMFILE_DRIVESEP_UNIX = ''

MMFILE_DRIVESEP_WIN32 = ':'

MMFILE_ERROR = -1

MMFILE_FILE = 0
hash(x)

MMFILE_FILESEP = '/'

MMFILE_FILESEP_UNIX = '/'

MMFILE_FILESEP_WIN32 = '\\'

MMFILE_NO_MORE_FILES = -2

MMFILE_OK = 0
hash(x)

MMFILE_PATHSEP = ':'

MMFILE_PATH_COMBIGLIDE = '$USERDATA/combiglide:$VCS_EXEC/../.....

MMFILE_PATH_DESMOND = '$USERDATA/desmond:$DESMOND_EXEC/../../d...

MMFILE_PATH_JAGUAR_DATA = '$JAGUAR_EXEC/../../data:$JAGUAR_EXE...

MMFILE_PATH_MACROMODEL = '$USERDATA/macromodel:$MMOD_EXEC/../....

MMFILE_PATH_MAESTRO_DATA = '$USERDATA/maestro:$MAESTRO_EXEC/.....

MMFILE_PATH_MMSHARE_DATA = '$USERDATA/mmshare:$MMSHARE_EXEC/.....

MMFILE_PATH_PSP_DATA = '$USERDATA/psp:$PSP_EXEC/../../data:'

MMFILE_PATH_QIKPROP = '$USERDATA/qikprop:$QIKPROP_EXEC:$QIKPRO...

MMPATTY_NEW_X_FOR_DATIVE_BOND_ONLY = 35

OPLS_NAME_CHANGE = 39

OPLS_SKIP_CM1A = 40

OPLS_VIRTUAL_SITES = 41

PATCH_ANALYZER = 42

PATH_MAX = 1024

PERIODIC_DFT = 52

PHASE_V5 = 43

PROJECT_V4 = 45

PROTEIN_ONLY_LID = 46

RADICALS_FORCE_OFF = 47

RADICALS_FORCE_ON = 48

SCIENTIFIC_SOLUTIONS_MENUS = 49

SET_QUEUE_RESOURCES = 51

USE_05_ES_PROTEIN_SCALE = 55

USE_05_LJ_PROTEIN_SCALE = 56

USE_COMMON_INTERACTION_DETECTION_LID = 57

USE_FAST3D_FOR_2D_TO_3D_CONVERSION = 59

USE_LIGPREP_FOR_2D_TO_3D_CONVERSION = 61

USE_OPLS2005_LIGAND = 62

USE_OPLS2005_PROTEIN = 63

WORKSPACE_FEEDBACK = 65

ZOB_REFINEMENT_1 = 67

_MMFILE_DRIVESEP = 1

_MMFILE_FILESEP = 0
hash(x)

_MMFILE_PATH_COMBIGLIDE = 8

_MMFILE_PATH_DESMOND = 9

_MMFILE_PATH_JAGUAR_DATA = 5

_MMFILE_PATH_MACROMODEL = 4

_MMFILE_PATH_MAESTRO_DATA = 3
hash(x)

_MMFILE_PATH_MMSHARE_DATA = 2

_MMFILE_PATH_PSP_DATA = 6

_MMFILE_PATH_QIKPROP = 7

__package__ = None
hash(x)

Variables Details

MMFILE_PATH_COMBIGLIDE

Value:

'$USERDATA/combiglide:$VCS_EXEC/../../data:$COMBIGLIDE_EXEC/../../data
'

MMFILE_PATH_DESMOND

Value:

'$USERDATA/desmond:$DESMOND_EXEC/../../data:$MMSHARE_EXEC/../../data/d
esmond'

MMFILE_PATH_JAGUAR_DATA

Value:

'$JAGUAR_EXEC/../../data:$JAGUAR_EXEC/../../uff:'

MMFILE_PATH_MACROMODEL

Value:

'$USERDATA/macromodel:$MMOD_EXEC/../../data'

MMFILE_PATH_MAESTRO_DATA

Value:

'$USERDATA/maestro:$MAESTRO_EXEC/../../data:$MAESTRO_EXEC/../../data/r
es'

MMFILE_PATH_MMSHARE_DATA

Value:

'$USERDATA/mmshare:$MMSHARE_EXEC/../../data:$MMSHARE_EXEC/../../data/r
es:$MMSHARE_EXEC/../../data/xres'

MMFILE_PATH_QIKPROP

Value:

'$USERDATA/qikprop:$QIKPROP_EXEC:$QIKPROP_EXEC/../../data'