BALL::BindingPocketProcessor::Option Struct Reference

#include <BALL/STRUCTURE/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

---

Detailed Description

Options

---

Member Data Documentation

const String BALL::BindingPocketProcessor::Option::ASP_SEPERATION [static]

minumum distance between two active site points

const String BALL::BindingPocketProcessor::Option::BURIAL_COUNT_RADIUS [static]

radius for the computation of the burial count

const String BALL::BindingPocketProcessor::Option::BURIAL_COUNT_THRESHOLD [static]

burial count threshold for computation with hydrogen atoms

const String BALL::BindingPocketProcessor::Option::BURIAL_COUNT_THRESHOLD_HYDROGEN_FREE [static]

burial count threshold for heavy atoms only

const String BALL::BindingPocketProcessor::Option::CLASH_FACTOR [static]

const String BALL::BindingPocketProcessor::Option::HEAVY_ONLY [static]

use only heavy atoms for computation

const String BALL::BindingPocketProcessor::Option::INI_FILE_NAME [static]

name of the ini-file

const String BALL::BindingPocketProcessor::Option::MAX_ASPS [static]

maximum number of active site points

const String BALL::BindingPocketProcessor::Option::PARSE_INI_FILE [static]

try to parse ini-file

const String BALL::BindingPocketProcessor::Option::PROBE_LAYER_RADIUS [static]

probe radius for colision of probes in one layer

const String BALL::BindingPocketProcessor::Option::PROBE_SPHERE_RADIUS [static]

probe sphere radius for computation with hydrogen atoms

const String BALL::BindingPocketProcessor::Option::PROBE_SPHERE_RADIUS_HYDROGEN_FREE [static]

probe sphere radius for heavy atoms only

const String BALL::BindingPocketProcessor::Option::PW_GAUSSIAN_WIDTH [static]

const String BALL::BindingPocketProcessor::Option::PW_MAX_DISTANCE [static]

const String BALL::BindingPocketProcessor::Option::PW_SQUARE_WELL [static]

options for the computation of the probe weight

const String BALL::BindingPocketProcessor::Option::RADIUS_CARBON [static]

const String BALL::BindingPocketProcessor::Option::RADIUS_HYDROGEN [static]

atom radius of individual elements

const String BALL::BindingPocketProcessor::Option::RADIUS_NITROGEN [static]

const String BALL::BindingPocketProcessor::Option::RADIUS_OXYGEN [static]

const String BALL::BindingPocketProcessor::Option::RADIUS_SULFUR [static]