Selection

Interface for selecting a group of atoms and integrating their area. More...

Macros
#define	FREESASA_MAX_SELECTION_NAME   50
	The maximum length of a selection name. More...

Typedefs
typedef struct freesasa_selection	freesasa_selection
	Selection struct. More...

Functions
freesasa_selection *	freesasa_selection_new (const char *command, const freesasa_structure *structure, const freesasa_result *result)
	Get area of a selection. More...
void	freesasa_selection_free (freesasa_selection *selection)
	Free selection. More...
const char *	freesasa_selection_name (const freesasa_selection *selection)
	Name of the selection. More...
const char *	freesasa_selection_command (const freesasa_selection *selection)
	Command that was used to generate the selection. More...
double	freesasa_selection_area (const freesasa_selection *selection)
	Area of the selection. More...
int	freesasa_selection_n_atoms (const freesasa_selection *selection)
	Number of atoms that matched the selection. More...

Detailed Description

Interface for selecting a group of atoms and integrating their area.

Macro Definition Documentation

FREESASA_MAX_SELECTION_NAME

#define FREESASA_MAX_SELECTION_NAME   50

The maximum length of a selection name.

See also

freesasa_select_area()

Definition at line 226 of file freesasa.h.

Typedef Documentation

freesasa_selection

typedef struct freesasa_selection freesasa_selection

Selection struct.

Struct to store a selection generated by freesasa_selection_new().

Definition at line 361 of file freesasa.h.

Function Documentation

freesasa_selection_new()

freesasa_selection * freesasa_selection_new	(	const char *	command,
		const freesasa_structure *	structure,
		const freesasa_result *	result
	)

Get area of a selection.

Uses subset of the select syntax from Pymol (name, symbol, resn, resi and chain), the keyword "select" is implicit. All commands are case insensitive. Valid selections would be, for example,

selection_name, resn ala+arg
selection_name, chain a and resi 1+3-20 and not resn gly

After selecting the atoms from the freesasa_structure pointer specified by the command the area of those atoms is summed up using the freesasa_result pointer.

The return value should be freed with freesasa_selection_free().

See also

Selection syntax

Parameters

command	The selection
structure	The structure to select from
result	The results to integrate

Returns

The selection. NULL if something went wrong. Use freesasa_selection_name(), freesasa_selection_command(), freesasa_selection_area() and freesasa_selection_n_atoms() to access results of selection.

freesasa_selection_free()

void freesasa_selection_free

(

freesasa_selection *

selection

)

Free selection.

Parameters

selection

The selection

freesasa_selection_name()

const char * freesasa_selection_name

(

const freesasa_selection *

selection

)

Name of the selection.

Parameters

selection

The selection

Returns

the name

freesasa_selection_command()

const char * freesasa_selection_command

(

const freesasa_selection *

selection

)

Command that was used to generate the selection.

Parameters

selection

The selection

Returns

The command

freesasa_selection_area()

double freesasa_selection_area

(

const freesasa_selection *

selection

)

Area of the selection.

Parameters

selection

The selection

Returns

The area

freesasa_selection_n_atoms()

int freesasa_selection_n_atoms

(

const freesasa_selection *

selection

)

Number of atoms that matched the selection.

Parameters

selection

The selection

Returns

Number of atoms