clipper::MMoleculeSequence Class Reference

Molecule sequence object. More...

#include <minimol_seq.h>

List of all members.

Public Member Functions
int	size () const
	number of polymer sequences in model
const MPolymerSequence &	operator[] (const int &i) const
	get polymer sequence
MPolymerSequence &	operator[] (const int &i)
	set polymer sequence
const MPolymerSequence &	find (const String &n, const MM::MODE mode=MM::UNIQUE) const
	get polymer sequence by id
MPolymerSequence &	find (const String &n, const MM::MODE mode=MM::UNIQUE)
	set polymer sequence by id
int	lookup (const String &str, const MM::MODE &mode) const
	lookup polymer sequence by id
void	insert (const MPolymerSequence &add, int pos=-1)
	add polymer sequence
bool	is_null () const
	test for null model

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Detailed Description

Molecule sequence object.

The molecule sequence object is a list of polymer sequence objects representing the named sequences of all the chains in a molecule.

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Member Function Documentation

const MPolymerSequence & clipper::MMoleculeSequence::find	(	const String &	n,
		const MM::MODE	mode = MM::UNIQUE
	)			const

get polymer sequence by id

Lookup monomer by ID. If mode=UNIQUE, the insertion code must match, otherwise the first monomer with the same sequence number is returned.

Parameters:

	n	The monomer ID.
	mode	The search mode.

Returns:

The monomer.

References lookup(), and clipper::message.

MPolymerSequence & clipper::MMoleculeSequence::find	(	const String &	n,
		const MM::MODE	mode = MM::UNIQUE
	)

set polymer sequence by id

See MMolecule::find()

References lookup(), and clipper::message.

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

• minimol_seq.h
• minimol_seq.cpp