Module ligfilter


Classes

AslCriterion
Criterion
CriterionParser
Definition
DefinitionParser
PredefinedCriterion
PropertyCriterion
SmartsCriterion
_MySplit

Functions

Molecular_formula
Molecular_weight
Num_aliphatic_rings
Num_aromatic_rings
Num_atoms
Num_chiral_centers
Num_heavy_atoms
Num_heteroaromatic_rings
Num_molecules
Num_negative_atoms
Num_positive_atoms
Num_residues
Num_rings
Num_rotatable_bonds
Percent_helix
Percent_loop
Percent_strand
Total_charge
_get_percent_ss_type
generate_criterion
get_default_criterion_parser
mysplit
read_keys
st_matches_criteria

Variables

ASL
DEFAULT_PATTERNS_FILE
FILTERFILE_EXT
GATES
MMSHARE_EXEC
MMSHARE_datadir
OPERATORS
PREDEFINED
PREDEFINED_KEYS
PROPERTY
SCHRODINGER
SMARTS
__package__
_criteria
_definition_fh
_definition_file_name
appdata_dir
appdata_file
default_definitions
mmshare_data_file
predefined_function_dict

[hide private]