IMP logo
IMP Reference Guide  2.20.2
The Integrative Modeling Platform
version 2.20.2
spb_representation.h
Go to the documentation of this file.
1 /**
2  * \file IMP/spb/spb_representation.h
3  * \brief SPB Representation
4  *
5  * Copyright 2007-2022 IMP Inventors. All rights reserved.
6  *
7  */
8 
9 #ifndef IMPSPB_SPB_REPRESENTATION_H
10 #define IMPSPB_SPB_REPRESENTATION_H
11 #include <IMP.h>
12 #include <IMP/atom.h>
13 #include <IMP/core.h>
14 #include <IMP/spb/spb_config.h>
15 
16 IMPSPB_BEGIN_NAMESPACE
17 
18 IMPSPBEXPORT atom::Hierarchies create_representation(
19  Model *m, RestraintSet *allrs, spb::SPBParameters mydata,
20  container::ListSingletonContainer *CP_ps,
21  container::ListSingletonContainer *IL2_ps, core::MonteCarloMovers &mvs,
22  Particle *SideXY, Particle *SideZ, int iseed);
23 
24 IMPSPBEXPORT atom::Molecule create_protein(
25  Model *m, RestraintSet *allrs, std::string name, double mass, int nbeads,
26  display::Color color, int copy, double kappa, algebra::Vector3D x0,
27  bool use_connectivity, int start_residue = 1, int length = -1);
28 
29 IMPSPBEXPORT atom::Molecule create_protein(
30  Model *m, std::string name, std::string filename, int nbeads,
31  display::Color colore, int copy, algebra::Vector3D x0, int offset = 0,
32  bool makerigid = true);
33 
34 IMPSPBEXPORT atom::Molecule create_merged_protein(
35  Model *m, RestraintSet *allrs, std::string name, atom::Molecules proteins,
36  int copy, double kappa, double dist = -1.0);
37 
38 IMPSPBEXPORT void recenter_rb(core::RigidBody &rb, core::XYZRs &rbps,
39  algebra::Vector3D x0,
40  bool coiledcoil = false);
41 
42 IMPSPBEXPORT atom::Molecules create_coiled_coil(
43  Model *m, std::string name, std::string filename_A, std::string filename_B,
44  int nbeads, display::Color colore, int copy, algebra::Vector3D x0,
45  int offset = 0);
46 
47 IMPSPBEXPORT void load_restart(atom::Hierarchies &all_mol,
48  spb::SPBParameters mydata);
49 
50 IMPSPBEXPORT atom::Molecule create_GFP(
51  Model *m, std::string name, int copy,
52  container::ListSingletonContainer *lsc, algebra::Vector3D x0,
53  core::MonteCarloMovers &mvs, spb::SPBParameters mydata,
54  Particle *SideXY, Particle *SideZ);
55 
56 IMPSPB_END_NAMESPACE
57 
58 #endif /* IMPSPB_SPB_REPRESENTATION_H */
IMP::core::MonteCarloMovers
IMP::Vector< IMP::Pointer< MonteCarloMover > > MonteCarloMovers
Definition: MonteCarloMover.h:119
IMP.h
Include all non-deprecated headers in IMP.
core.h
Include all non-deprecated headers in IMP.core.
IMP::atom::create_protein
Hierarchy create_protein(Model *m, std::string name, double target_radius, int number_of_residues, int first_residue_index=0, double volume=-1)
Create a coarse grained molecule.
IMP::algebra::Vector3D
VectorD< 3 > Vector3D
Definition: VectorD.h:425
atom.h
Include all non-deprecated headers in IMP.atom.