Module AllChem


Functions

AssignBondOrdersFromTemplate
ComputeMolShape
ComputeMolVolume
ConstrainedEmbed
EnumerateLibraryFromReaction
GenerateDepictionMatching2DStructure
GenerateDepictionMatching3DStructure
GetBestRMS
GetConformerRMS
GetConformerRMSMatrix
TransformMol
_test

Variables

ADJUST_IGNOREALL
ADJUST_IGNORECHAINS
ADJUST_IGNOREDUMMIES
ADJUST_IGNORENONDUMMIES
ADJUST_IGNORENONE
ADJUST_IGNORERINGS
ALLOW_CHARGE_SEPARATION
ALLOW_INCOMPLETE_OCTETS
AROMATICITY_CUSTOM
AROMATICITY_DEFAULT
AROMATICITY_RDKIT
AROMATICITY_SIMPLE
CHI_OTHER
CHI_TETRAHEDRAL_CCW
CHI_TETRAHEDRAL_CW
CHI_UNSPECIFIED
COMPOSITE_AND
COMPOSITE_OR
COMPOSITE_XOR
KEKULE_ALL
LayeredFingerprint_substructLayers
SANITIZE_ADJUSTHS
SANITIZE_ADJUST_REACTANTS
SANITIZE_ALL
SANITIZE_ATOM_MAPS
SANITIZE_CLEANUP
SANITIZE_CLEANUPCHIRALITY
SANITIZE_FINDRADICALS
SANITIZE_KEKULIZE
SANITIZE_MERGEHS
SANITIZE_NONE
SANITIZE_PROPERTIES
SANITIZE_RGROUP_NAMES
SANITIZE_SETAROMATICITY
SANITIZE_SETCONJUGATION
SANITIZE_SETHYBRIDIZATION
SANITIZE_SYMMRINGS
UNCONSTRAINED_ANIONS
UNCONSTRAINED_CATIONS
__package__
logger

[hide private]