Package schrodinger :: Package application :: Package bioluminate :: Module reactive_residues :: Class ReactiveResidues
[hide private]
[frames] | no frames]

Class ReactiveResidues

Find the reactive residues on a protein based on sequence patterns.

Instance Methods [hide private]
 
__init__(self, st, search_pre_defined=True, custom_patterns=[])
 
generateCSVTable(self)
Analyze the given structure and return the results summary in a CSV table
 
iterateResidues(self)
Iterate over all residues and yield ResidueData objects (or None if the residue is not reactive) Note that one residue can be multiple reactive types and yielded multiple times
 
_checkGroupForTypes(self, pre_resname, curr_resname, next_resname)
Return a list of reactive residue types for residue "curr_resname" ("pre_resname" for Glycosylation).
 
getNumResidues(self)
return the total number of residues in the sequences that will be analyzed.
Method Details [hide private]

__init__(self, st, search_pre_defined=True, custom_patterns=[])
(Constructor)

 
Parameters:
  • search_pre_defined (boolean)
  • custom_patterns (a list of tuple (name, pattern_str, color))
  • st (_Structure object)

_checkGroupForTypes(self, pre_resname, curr_resname, next_resname)

 

Return a list of reactive residue types for residue "curr_resname" ("pre_resname" for Glycosylation). if not matched, return an empty list