IMP  2.0.0
The Integrative Modeling Platform
model_interaction.h
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1 /**
2  * \file model_interaction.h
3  * \brief operations implying interaction of models and the EM module
4  *
5  * Copyright 2007-2013 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 
31 //! Generate a PDB file from a set of Vector2D (all the points are C-alpha) and
32 //! the Z coordinate is set to 0.
33 /*!
34  \note This version deals with the problem of having more than 10000 points
35 */
36 IMPEM2DEXPORT void write_vectors_as_pdb(
37  const algebra::Vector2Ds vs, const String filename);
38 
39 IMPEM2DEXPORT void write_vectors_as_pdb(
40  const algebra::Vector3Ds vs, const String filename);
41 
42 
43 IMPEM2D_END_NAMESPACE
44 
45 #endif /* IMPEM2D_MODEL_INTERACTION_H */