Detailed Description

Basic SAXS restraint.

Definition at line 17 of file saxs.py.

Public Member Functions
def	__init__
	Builds the restraint. More...

Public Member Functions inherited from IMP.pmi.restraints.RestraintBase
def	__init__
	Constructor. More...

def	add_to_model
	Add the restraint to the model. More...

def	evaluate
	Evaluate the score of the restraint. More...

def	get_output
	Get outputs to write to stat files. More...

def	get_particles_to_sample
	Get any created particles which should be sampled. More...

def	get_restraint
	Get the primary restraint set. More...

def	get_restraint_for_rmf
	Get the restraint for visualization in an RMF file. More...

def	get_restraint_set
	Get the primary restraint set. More...

def	set_label
	Set the unique label used in outputs and particle/restraint names. More...

def	set_weight
	Set the weight to apply to all internal restraints. More...

Constructor & Destructor Documentation

def IMP.pmi.restraints.saxs.SAXSRestraint.__init__	(	self,
		input_objects,
		saxs_datafile,
		weight = `1.0`,
		ff_type = `IMP.saxs.HEAVY_ATOMS`,
		label = `None`
	)

Builds the restraint.

Parameters

input_objects	A list of hierarchies or PMI objects that the SAXS restraint will be applied to. This hierarchy MUST be atomic. You can pass a list of CA atom particles to evaluate at residue resolution
saxs_datafile	the SAXS .dat file.
weight	Restraint score coefficient
ff_type	the form factor to use, of the following types: IMP.saxs.HEAVY_ATOMS: use form factors with implicit hydrogens IMP.saxs.ALL_ATOMS: use individual form factors for all atoms. Does not build missing hydrogens. IMP.saxs.CA_ATOMS: use residue based form factors centered at CA atoms
label	Label for the restraint in outputs

Definition at line 33 of file saxs.py.

The documentation for this class was generated from the following file: