restraint_io.h File Reference

Manage read/write of Restraints from/to RMF files. More...

#include <IMP/rmf/rmf_config.h>
#include "link_macros.h"
#include <IMP/object_macros.h>
#include <IMP/Restraint.h>

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Namespaces
	IMP
	Base functionality and abstract base classes for representation, scoring and sampling.
	IMP::rmf
	Support for the RMF file format for storing hierarchical molecular data and markup.

Restraint I/O
Restraints are written as RMF::FEATURE nodes with subnodes for the decomposed restraints (Restraint::create_current_decomposition()). The Restraints::get_last_score() value is what is saved to the file, so make sure that the restraints have been evaluated before saving a frame. Any particles returned by Restraint::get_input_particles() that are also linked in the RMF file will be included in the RMF file as inputs for the Restraint. This allows external software like e.g., Chimera to associate these restraints with a certain set of particles.
void	IMP::rmf::add_restraints (RMF::FileHandle fh, const Restraints &hs)
void	IMP::rmf::add_restraints (RMF::NodeHandle fh, const Restraints &hs)
void	IMP::rmf::add_restraint (RMF::FileHandle fh, Restraint *hs)
Restraints	IMP::rmf::create_restraints (RMF::FileConstHandle fh, Model *m)
void	IMP::rmf::link_restraints (RMF::FileConstHandle fh, const Restraints &hs)
void	IMP::rmf::add_restraints_as_bonds (RMF::FileHandle fh, const Restraints &rs)
	Add a list of restraints to the file as (static) bonds. More...
void	IMP::rmf::set_maximum_number_of_terms (RMF::FileHandle fh, unsigned int num)
	Limit the number of restraint terms. More...

Detailed Description

Manage read/write of Restraints from/to RMF files.

Copyright 2007-2021 IMP Inventors. All rights reserved.

Definition in file restraint_io.h.