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

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Detailed Description

Options

Definition at line 48 of file bindingPocketProcessor.h.

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Member Data Documentation

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

minumum distance between two active site points

Definition at line 85 of file bindingPocketProcessor.h.

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

radius for the computation of the burial count

Definition at line 75 of file bindingPocketProcessor.h.

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

burial count threshold for computation with hydrogen atoms

Definition at line 71 of file bindingPocketProcessor.h.

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

burial count threshold for heavy atoms only

Definition at line 73 of file bindingPocketProcessor.h.

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

Definition at line 83 of file bindingPocketProcessor.h.

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

use only heavy atoms for computation

Definition at line 51 of file bindingPocketProcessor.h.

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

name of the ini-file

Definition at line 55 of file bindingPocketProcessor.h.

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

maximum number of active site points

Definition at line 81 of file bindingPocketProcessor.h.

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

try to parse ini-file

Definition at line 53 of file bindingPocketProcessor.h.

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

probe radius for colision of probes in one layer

Definition at line 69 of file bindingPocketProcessor.h.

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

probe sphere radius for computation with hydrogen atoms

Definition at line 65 of file bindingPocketProcessor.h.

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

probe sphere radius for heavy atoms only

Definition at line 67 of file bindingPocketProcessor.h.

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

Definition at line 78 of file bindingPocketProcessor.h.

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

Definition at line 79 of file bindingPocketProcessor.h.

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

options for the computation of the probe weight

Definition at line 77 of file bindingPocketProcessor.h.

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

Definition at line 61 of file bindingPocketProcessor.h.

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

atom radius of individual elements

Definition at line 58 of file bindingPocketProcessor.h.

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

Definition at line 60 of file bindingPocketProcessor.h.

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

Definition at line 59 of file bindingPocketProcessor.h.

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

Definition at line 62 of file bindingPocketProcessor.h.