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IMP Reference Guide  2.20.2
The Integrative Modeling Platform
multifit/connolly_surface.h
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1 /**
2  * \file IMP/multifit/connolly_surface.h
3  * \brief Generate surface for a set of atoms
4  *
5  * Copyright 2007-2022 IMP Inventors. All rights reserved.
6  *
7  */
8 
9 #ifndef IMPMULTIFIT_CONNOLLY_SURFACE_H
10 #define IMPMULTIFIT_CONNOLLY_SURFACE_H
11 
12 #include <IMP/multifit/multifit_config.h>
13 #include <IMP/file.h>
14 #include <IMP/atom/Atom.h>
15 
16 IMPMULTIFIT_BEGIN_NAMESPACE
17 
18 //! Write the Connolly surface for a set of atoms to a file.
19 void IMPMULTIFITEXPORT
20  write_connolly_surface(atom::Atoms atoms, TextOutput fn,
21  float density, float probe_radius);
22 
23 IMPMULTIFIT_END_NAMESPACE
24 
25 #endif /* IMPMULTIFIT_CONNOLLY_SURFACE_H */
Simple atom decorator.
Handling of file input/output.
void write_connolly_surface(atom::Atoms atoms, TextOutput fn, float density, float probe_radius)
Write the Connolly surface for a set of atoms to a file.