meeko/setup.py
def is_methyl(self, atom_idx):
        """ identify methyl groups (to be done with SMARTS)"""
        atom = self.mol.GetAtom(atom_idx)
        if not (atom.GetAtomicNum() == 6):
            return False
        h_count = len([x for x in ob.OBAtomAtomIter(atom) if x.GetAtomicNum() == 1])
        return h_count == 3
 identify methyl groups (to be done with SMARTS)
identify methyl groups (to be done with SMARTS)
identify methyl groups ( to be done with SMARTS )
def is_methyl(self, atom_idx):
        atom = self.mol.GetAtom(atom_idx)
        if not (atom.GetAtomicNum() == 6):
            return False
        h_count = len([x for x in ob.OBAtomAtomIter(atom) if x.GetAtomicNum() == 1])
        return h_count == 3
def is_methyl ( self , atom_idx ) : atom = self . mol . GetAtom ( atom_idx ) if not ( atom . GetAtomicNum ( ) == 6 ) : return False h_count = len ( [ x for x in ob . OBAtomAtomIter ( atom ) if x . GetAtomicNum ( ) == 1 ] ) return h_count == 3
identify methyl groups (to be done with SMARTS)
identify methyl groups ( to be done with SMARTS )
""" identify methyl groups (to be done with SMARTS)"""
self
atom_idx