core::chemical::Selector_UPPER_POSITION Class Reference

Does the main chain of this residue follow from the given position label? More...

#include <ResidueSelector.hh>

Public Member Functions
	Selector_UPPER_POSITION (uint const position, bool const result)
bool	operator[] (ResidueType const &rsd) const
	Select by the position at which the upper connection is attached. More...
Public Member Functions inherited from core::chemical::ResidueSelectorSingle
virtual	~ResidueSelectorSingle ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...
	ResidueSelectorSingle (bool const result)
bool	desired_result () const

Private Attributes
uint	position_

Detailed Description

Does the main chain of this residue follow from the given position label?

By position, it is meant the single digit integer by which atoms are labeled to indicate their position. For example, if an upper connection is from C8 of a generic residue, the position is 8.

Remarks

This selector was added primarily for use with carbohydrate residues, which have a wide assortment of main- chain designations. To properly patch upper terminus variants, it is necessary to know which atoms need to be added and, particularly, at which position to add them. However, this selector could be adapted for any residue subclass that contains variability in the main chain, provided the nomenclature is consistent and numerical. See patches/carbohydrates/upper_terminus.txt for an example of use.

Author

Labonte

Constructor & Destructor Documentation

core::chemical::Selector_UPPER_POSITION::Selector_UPPER_POSITION ( uint const  position, bool const  result  )

inline

Member Function Documentation

bool core::chemical::Selector_UPPER_POSITION::operator[] ( ResidueType const &  rsd ) const

inlinevirtual

Select by the position at which the upper connection is attached.

Note

This is currently written to work only with carbohydrates, since only carbohydrates store their main- chain position. If needed for another residue subclass, one would need to modify this method. OR, it would be better to create a datum for storing the main-chain position in ResidueType.

Implements core::chemical::ResidueSelectorSingle.

References core::chemical::ResidueType::carbohydrate_info(), core::chemical::ResidueSelectorSingle::desired_result(), core::chemical::ResidueType::is_carbohydrate(), and position_.

Member Data Documentation

uint core::chemical::Selector_UPPER_POSITION::position_

private

Referenced by operator[]().

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The documentation for this class was generated from the following file:

• src/core/chemical/ResidueSelector.hh