IMP  2.2.1
The Integrative Modeling Platform
complex_assembly.h
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1 /**
2  * \file IMP/example/complex_assembly.h
3  * \brief A simple unary function.
4  *
5  * Copyright 2007-2014 IMP Inventors. All rights reserved.
6  *
7  */
8 
9 #ifndef IMPEXAMPLE_COMPLEX_ASSEMBLY_H
10 #define IMPEXAMPLE_COMPLEX_ASSEMBLY_H
11 
12 #include <IMP/example/example_config.h>
13 #include <IMP/base_types.h>
15 
16 IMPEXAMPLE_BEGIN_NAMESPACE
17 
18 /** Provide an example of a more involved protocol for assembly a complex. The
19  protocol adds the particles one at a time based on how well connected they
20  are to the already added particles (in the interaction graph). After each
21  addition, the assembly is optimized. The protocol seems to work at
22  assembling the residues of a protein from a truncated distance matrix.
23 */
24 IMPEXAMPLEEXPORT void optimize_assembly(
25  kernel::Model *m, const kernel::ParticlesTemp &components,
26  const kernel::RestraintsTemp &interactions,
27  const kernel::RestraintsTemp &other_restraints,
28  const algebra::BoundingBox3D &bb, PairScore *ev, double cutoff,
29  const PairPredicates &excluded = PairPredicates());
30 
31 IMPEXAMPLE_END_NAMESPACE
32 
33 #endif /* IMPEXAMPLE_COMPLEX_ASSEMBLY_H */
Import IMP/kernel/base_types.h in the namespace.
void optimize_assembly(kernel::Model *m, const kernel::ParticlesTemp &components, const kernel::RestraintsTemp &interactions, const kernel::RestraintsTemp &other_restraints, const algebra::BoundingBox3D &bb, PairScore *ev, double cutoff, const PairPredicates &excluded=PairPredicates())
Abstract score function.
A bounding box in D dimensions.
IMP::base::Vector< IMP::base::Pointer< PairPredicate > > PairPredicates
Class for storing model, its restraints, constraints, and particles.
Definition: kernel/Model.h:72