PEATSA/Core/Programs.py
def _convertProtonationData(self, protonationStates):
	
		'''Replaces PEAT type residue codes with pdb2pqr residue codes'''
		
		#Convert protonation states
		converted = {}
		for residueCode in protonationStates.keys():
			data = Utilities.ParseResidueCode()
			pdb2pqrCode = '%s %s %d' % (data[2], data[0], data[1])
			converted[pdb2pqrCode] = protonationStates[residueCode]
			
		return converted
Replaces PEAT type residue codes with pdb2pqr residue codes
Replaces PEAT type residue codes with pdb2pqr residue codes
Replaces PEAT type residue codes with pdb2pqr residue codes
def _convertProtonationData(self, protonationStates):
		converted = {}
		for residueCode in protonationStates.keys():
			data = Utilities.ParseResidueCode()
			pdb2pqrCode = '%s %s %d' % (data[2], data[0], data[1])
			converted[pdb2pqrCode] = protonationStates[residueCode]
		return converted
def _convertProtonationData ( self , protonationStates ) : converted = { } for residueCode in protonationStates . keys ( ) : data = Utilities . ParseResidueCode ( ) pdb2pqrCode = '%s %s %d' % ( data [ 2 ] , data [ 0 ] , data [ 1 ] ) converted [ pdb2pqrCode ] = protonationStates [ residueCode ] return converted
Replaces PEAT type residue codes with pdb2pqr residue codes
Replaces PEAT type residue codes with pdb2pqr residue codes
'''Replaces PEAT type residue codes with pdb2pqr residue codes''' #Convert protonation states
self
protonationStates