BALL
1.5.0
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include
BALL
STRUCTURE
peptideCapProcessor.h
Go to the documentation of this file.
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// -*- Mode: C++; tab-width: 2; -*-
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// vi: set ts=2:
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//
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#ifndef BALL_STRUCTURE_PEPTIDECAPPROCESSOR_H
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#define BALL_STRUCTURE_PEPTIDECAPPROCESSOR_H
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#ifndef BALL_COMMON_H
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# include <
BALL/common.h
>
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#endif
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#ifndef BALL_CONCEPT_COMPOSITE_H
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# include <
BALL/CONCEPT/composite.h
>
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#endif
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#ifndef BALL_MATHS_VECTOR3_H
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# include <
BALL/MATHS/vector3.h
>
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#endif
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#ifndef BALL_KERNEL_RESIDUE_H
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# include <
BALL/KERNEL/residue.h
>
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#endif
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#ifndef BALL_KERNEL_CHAIN_H
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# include <
BALL/KERNEL/chain.h
>
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#endif
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#ifndef BALL_STRUCTURE_ATOMBIJECTION_H
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# include <
BALL/STRUCTURE/atomBijection.h
>
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#endif
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namespace
BALL
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{
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class
BALL_EXPORT
PeptideCapProcessor
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:
public
UnaryProcessor
<Chain>
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{
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public
:
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PeptideCapProcessor
();
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virtual
Processor::Result
operator() (
Chain
& chain);
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protected
:
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//function to compute the distance of the cap atoms and the last residue
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float
computeDistance
(std::vector<Atom*>& a, std::vector<Atom*>& b);
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//function to optimize cap position by rotation
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void
optimizeCapPosition
(
Chain
& chain,
bool
start);
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};
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}
//namespace BALL
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#endif
// BALL_STRUCTURE_PEPTIDECAPPROCESSOR_H
composite.h
atomBijection.h
chain.h
residue.h
common.h
vector3.h
BALL
Definition
constants.h:13
BALL::Processor::Result
int Result
Definition
processor.h:36
BALL::UnaryProcessor
Definition
processor.h:60
BALL::Chain
Definition
chain.h:32
BALL::PeptideCapProcessor
This processor adds ACE-N and NME-C caps to proteins.
Definition
peptideCapProcessor.h:44
BALL::PeptideCapProcessor::PeptideCapProcessor
PeptideCapProcessor()
Default constructor.
BALL::PeptideCapProcessor::computeDistance
float computeDistance(std::vector< Atom * > &a, std::vector< Atom * > &b)
BALL::PeptideCapProcessor::optimizeCapPosition
void optimizeCapPosition(Chain &chain, bool start)
BALL_EXPORT
#define BALL_EXPORT
Definition
COMMON/global.h:50
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