RxDock 0.1.0
A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids
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ReceptorFlexData.h
1/***********************************************************************
2 * The rDock program was developed from 1998 - 2006 by the software team
3 * at RiboTargets (subsequently Vernalis (R&D) Ltd).
4 * In 2006, the software was licensed to the University of York for
5 * maintenance and distribution.
6 * In 2012, Vernalis and the University of York agreed to release the
7 * program as Open Source software.
8 * This version is licensed under GNU-LGPL version 3.0 with support from
9 * the University of Barcelona.
10 * http://rdock.sourceforge.net/
11 ***********************************************************************/
12
13// Manages flexibility data for macromolecules
14#ifndef _RBTRECEPTORFLEXDATA_
15#define _RBTRECEPTORFLEXDATA_
16
17#include "rxdock/FlexData.h"
18
19namespace rxdock {
20
21class ReceptorFlexData : public FlexData {
22public:
23 // Distance from docking site within which OH/NH3+ groups are flexible (A)
24 static const std::string &_FLEX_DISTANCE;
25 // Dihedral mutation step length (deg)
26 static const std::string &_DIHEDRAL_STEP;
27 RBTDLL_EXPORT ReceptorFlexData(DockingSite *pDockSite);
28 virtual void Accept(FlexDataVisitor &v) { v.VisitReceptorFlexData(this); }
29
30private:
32};
33
34} // namespace rxdock
35
36#endif //_RBTRECEPTORFLEXDATA_
Definition DockingSite.h:30
Definition FlexDataVisitor.h:23
Definition FlexData.h:27
Definition ReceptorFlexData.h:21