PEATSA/Core/Data.py
def mutantCollectionFromRotamerOperations(operationsList, pdbFile, name, location='.'):

	'''Creates a mutant collection using a list of rotamer operations
	
	Each element of operationsList describes the operations required
	to create a single mutant.
	
	Note: If a collection already exists at location/name it is overwritten
	
	Params:
		operationsList - List of rotamer operations describing the mutants to create
		pdbFile - The path to the pdb file representing the structure to be mutated
		name - The name of the colleciton
		location - Where it will be created	
	'''
	
	collection = MutantCollection(name=name, location=location, pdbFile=pdbFile)
	protoolStructure = collection.pdb
	print '[MUTATE] Creating new collection from %d operations' % len(operationsList)
	for operations in operationsList:
		mutationSet = mutationSetFromRotamerOperations(operations)
		print '[MUTATE] Creating mutant %s' % mutationSet.codeString(pdb=protoolStructure)
		mutant = MutantFromRotamerOperations(protoolStructure, operations)
		collection.addMutant(mutant, mutationSet, operations=operations)

	print '[MUTATE] %s' % collection
		
	return collection
Creates a mutant collection using a list of rotamer operations
	
	Each element of operationsList describes the operations required
	to create a single mutant.
	
	Note: If a collection already exists at location/name it is overwritten
	
	Params:
		operationsList - List of rotamer operations describing the mutants to create
		pdbFile - The path to the pdb file representing the structure to be mutated
		name - The name of the colleciton
		location - Where it will be created	
	
Creates a mutant collection using a list of rotamer operations
Each element of operationsList describes the operations required
to create a single mutant.

If a collection already exists at location/name it is overwritten

List of rotamer operations describing the mutants to create
pdbFile - The path to the pdb file representing the structure to be mutated
name - The name of the colleciton
location - Where it will be created
Creates a mutant collection using a list of rotamer operations Each element of operationsList describes the operations required to create a single mutant . If a collection already exists at location / name it is overwritten List of rotamer operations describing the mutants to create pdbFile - The path to the pdb file representing the structure to be mutated name - The name of the colleciton location - Where it will be created
def mutantCollectionFromRotamerOperations(operationsList, pdbFile, name, location='.'):
	collection = MutantCollection(name=name, location=location, pdbFile=pdbFile)
	protoolStructure = collection.pdb
	print '[MUTATE] Creating new collection from %d operations' % len(operationsList)
	for operations in operationsList:
		mutationSet = mutationSetFromRotamerOperations(operations)
		print '[MUTATE] Creating mutant %s' % mutationSet.codeString(pdb=protoolStructure)
		mutant = MutantFromRotamerOperations(protoolStructure, operations)
		collection.addMutant(mutant, mutationSet, operations=operations)
	print '[MUTATE] %s' % collection
	return collection
def mutantCollectionFromRotamerOperations ( operationsList , pdbFile , name , location = '.' ) : collection = MutantCollection ( name = name , location = location , pdbFile = pdbFile ) protoolStructure = collection . pdb print '[MUTATE] Creating new collection from %d operations' % len ( operationsList ) for operations in operationsList : mutationSet = mutationSetFromRotamerOperations ( operations ) print '[MUTATE] Creating mutant %s' % mutationSet . codeString ( pdb = protoolStructure ) mutant = MutantFromRotamerOperations ( protoolStructure , operations ) collection . addMutant ( mutant , mutationSet , operations = operations ) print '[MUTATE] %s' % collection return collection
Creates a mutant collection using a list of rotamer operations
Each element of operationsList describes the operations required
to create a single mutant.
Creates a mutant collection using a list of rotamer operations Each element of operationsList describes the operations required to create a single mutant .
'''Creates a mutant collection using a list of rotamer operations
	
	Each element of operationsList describes the operations required
	to create a single mutant.
	
	Note: If a collection already exists at location/name it is overwritten
	
	Params:
		operationsList - List of rotamer operations describing the mutants to create
		pdbFile - The path to the pdb file representing the structure to be mutated
		name - The name of the colleciton
		location - Where it will be created	
	'''
operationsList
pdbFile
name
location