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IMP Reference Guide  2.20.2
The Integrative Modeling Platform
version 2.20.2
model_interaction.h
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1 /**
2  * \file IMP/em2d/model_interaction.h
3  * \brief operations implying interaction of models and the EM module
4  *
5  * Copyright 2007-2022 IMP Inventors. All rights reserved.
6 */
7 
8 #ifndef IMPEM2D_MODEL_INTERACTION_H
9 #define IMPEM2D_MODEL_INTERACTION_H
10 
11 #include <IMP/em2d/em2d_config.h>
12 #include "IMP/em/DensityMap.h"
13 #include "IMP/em/SampledDensityMap.h"
14 #include "IMP/em/MapReaderWriter.h"
15 #include "IMP/algebra/Vector2D.h"
16 #include "IMP/algebra/Vector3D.h"
17 #include "IMP/atom/pdb.h"
18 #include "IMP/atom/Hierarchy.h"
19 #include "IMP/atom/Chain.h"
20 #include "IMP/atom/Residue.h"
21 #include "IMP/atom/Atom.h"
22 #include "IMP/core/XYZ.h"
23 #include "IMP/core.h"
24 #include "IMP/Pointer.h"
25 #include "IMP.h"
26 #include <typeinfo>
27 
28 IMPEM2D_BEGIN_NAMESPACE
29 
30 //! Generate a PDB file from a set of Vector2D (all the points are C-alpha) and
31 //! the Z coordinate is set to 0.
32 /*!
33  \note This version deals with the problem of having more than 10000 points
34 */
35 IMPEM2DEXPORT void write_vectors_as_pdb(const algebra::Vector2Ds vs,
36  const String filename);
37 
38 IMPEM2DEXPORT void write_vectors_as_pdb(const algebra::Vector3Ds vs,
39  const String filename);
40 
41 IMPEM2D_END_NAMESPACE
42 
43 #endif /* IMPEM2D_MODEL_INTERACTION_H */
pdb.h
Functions to read PDBs.
IMP::algebra::Vector3Ds
Vector< VectorD< 3 > > Vector3Ds
Definition: VectorD.h:427
IMP.h
Include all non-deprecated headers in IMP.
Vector2D.h
Simple 2D vector class.
core.h
Include all non-deprecated headers in IMP.core.
Atom.h
Simple atom decorator.
XYZ.h
Simple XYZ decorator.
IMP::algebra::Vector2Ds
Vector< VectorD< 2 > > Vector2Ds
Definition: VectorD.h:423
DensityMap.h
Class for handling density maps.
Hierarchy.h
Decorator for helping deal with a hierarchy of molecules.
IMP::em2d::write_vectors_as_pdb
void write_vectors_as_pdb(const algebra::Vector2Ds vs, const String filename)
MapReaderWriter.h
An abstract class for reading a map.
Residue.h
A decorator for Residues.
Chain.h
Store the chain ID.
Pointer.h
A nullptr-initialized pointer to an IMP Object.
Vector3D.h
Simple 3D vector class.
SampledDensityMap.h
Sampled density map.
IMP::String
std::string String
Basic string value.
Definition: types.h:43