BALL::BindingPocketProcessor::BindingPocketProcessor::Option Struct Reference

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#include <bindingPocketProcessor.h>

List of all members.

Static Public Attributes
static const String	HEAVY_ONLY
	use only heavy atoms for computation
static const String	PARSE_INI_FILE
	try to parse ini-file
static const String	INI_FILE_NAME
	name of the ini-file
static const String	RADIUS_HYDROGEN
	atom radius of individual elements
static const String	RADIUS_OXYGEN
static const String	RADIUS_NITROGEN
static const String	RADIUS_CARBON
static const String	RADIUS_SULFUR
static const String	PROBE_SPHERE_RADIUS
	probe sphere radius for computation with hydrogen atoms
static const String	PROBE_SPHERE_RADIUS_HYDROGEN_FREE
	probe sphere radius for heavy atoms only
static const String	PROBE_LAYER_RADIUS
	probe radius for colision of probes in one layer
static const String	BURIAL_COUNT_THRESHOLD
	burial count threshold for computation with hydrogen atoms
static const String	BURIAL_COUNT_THRESHOLD_HYDROGEN_FREE
	burial count threshold for heavy atoms only
static const String	BURIAL_COUNT_RADIUS
	radius for the computation of the burial count
static const String	PW_SQUARE_WELL
	options for the computation of the probe weight
static const String	PW_GAUSSIAN_WIDTH
static const String	PW_MAX_DISTANCE
static const String	MAX_ASPS
	maximum number of active site points
static const String	CLASH_FACTOR
static const String	ASP_SEPERATION
	minumum distance between two active site points

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Detailed Description

Options.