IMP  2.0.0
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 2007-2013 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 
17 IMPEXAMPLE_BEGIN_NAMESPACE
18 
19 /** Provide an example of a more involved protocol for assembly a complex. The
20  protocol adds the particles one at a time based on how well connected they
21  are to the already added particles (in the interaction graph). After each
22  addition, the assembly is optimized. The protocol seems to work at
23  assembling the residues of a protein from a truncated distance matrix.
24 */
25 IMPEXAMPLEEXPORT void optimize_assembly(Model *m,
26  const ParticlesTemp &components,
27  const RestraintsTemp &interactions,
28  const RestraintsTemp &other_restraints,
29  const algebra::BoundingBox3D &bb,
30  PairScore *ev,
31  double cutoff,
32  const PairPredicates &excluded
33  =PairPredicates());
34 
35 IMPEXAMPLE_END_NAMESPACE
36 
37 #endif /* IMPEXAMPLE_COMPLEX_ASSEMBLY_H */