IMP logo
IMP Reference Guide  2.13.0
The Integrative Modeling Platform
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>
+ Include dependency graph for restraint_io.h:
+ This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

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 2007-2020 IMP Inventors. All rights reserved.

Definition in file restraint_io.h.