basic::options::OptionKeys::fingerprint Namespace Reference

Variables
BooleanOptionKey const	fingerprint
BooleanOptionKey const	print_eggshell
RealOptionKey const	atom_radius_scale
RealOptionKey const	atom_radius_buffer
RealOptionKey const	packing_weight
RealOptionKey const	dist_cut_off
BooleanOptionKey const	include_extrashell_to_set_origin
BooleanOptionKey const	include_hydrogens
BooleanOptionKey const	multiple_origin
BooleanOptionKey const	use_DARC_gpu
BooleanOptionKey const	square_score
BooleanOptionKey const	darc_components
IntegerOptionKey const	set_origin
StringOptionKey const	origin_res_num
BooleanOptionKey const	add_esp
BooleanOptionKey const	darc_shape_only
BooleanOptionKey const	darc_elsts_only
RealOptionKey const	esp_weight
RealOptionKey const	esp_protein_wt
RealOptionKey const	esp_surface_wt
BooleanOptionKey const	delphi_grid
RealOptionKey const	cap_e_potential
BooleanOptionKey const	return_zero_darc_score
BooleanOptionKey const	set_surface_esp_to_zero
BooleanOptionKey const	set_protein_esp_to_zero
StringOptionKey const	inp_lig
StringOptionKey const	ref_lig

Variable Documentation

add_esp

BooleanOptionKey const basic::options::OptionKeys::fingerprint::add_esp

extern

Referenced by main().

atom_radius_buffer

RealOptionKey const basic::options::OptionKeys::fingerprint::atom_radius_buffer

extern

atom_radius_scale

RealOptionKey const basic::options::OptionKeys::fingerprint::atom_radius_scale

extern

cap_e_potential

RealOptionKey const basic::options::OptionKeys::fingerprint::cap_e_potential

extern

darc_components

BooleanOptionKey const basic::options::OptionKeys::fingerprint::darc_components

extern

darc_elsts_only

BooleanOptionKey const basic::options::OptionKeys::fingerprint::darc_elsts_only

extern

Referenced by main().

darc_shape_only

BooleanOptionKey const basic::options::OptionKeys::fingerprint::darc_shape_only

extern

Referenced by main().

delphi_grid

BooleanOptionKey const basic::options::OptionKeys::fingerprint::delphi_grid

extern

Referenced by main().

dist_cut_off

RealOptionKey const basic::options::OptionKeys::fingerprint::dist_cut_off

extern

esp_protein_wt

RealOptionKey const basic::options::OptionKeys::fingerprint::esp_protein_wt

extern

esp_surface_wt

RealOptionKey const basic::options::OptionKeys::fingerprint::esp_surface_wt

extern

esp_weight

RealOptionKey const basic::options::OptionKeys::fingerprint::esp_weight

extern

Referenced by main().

fingerprint

BooleanOptionKey const basic::options::OptionKeys::fingerprint::fingerprint

extern

include_extrashell_to_set_origin

BooleanOptionKey const basic::options::OptionKeys::fingerprint::include_extrashell_to_set_origin

extern

include_hydrogens

BooleanOptionKey const basic::options::OptionKeys::fingerprint::include_hydrogens

extern

inp_lig

StringOptionKey const basic::options::OptionKeys::fingerprint::inp_lig

extern

multiple_origin

BooleanOptionKey const basic::options::OptionKeys::fingerprint::multiple_origin

extern

origin_res_num

StringOptionKey const basic::options::OptionKeys::fingerprint::origin_res_num

extern

packing_weight

RealOptionKey const basic::options::OptionKeys::fingerprint::packing_weight

extern

print_eggshell

BooleanOptionKey const basic::options::OptionKeys::fingerprint::print_eggshell

extern

ref_lig

StringOptionKey const basic::options::OptionKeys::fingerprint::ref_lig

extern

return_zero_darc_score

BooleanOptionKey const basic::options::OptionKeys::fingerprint::return_zero_darc_score

extern

set_origin

IntegerOptionKey const basic::options::OptionKeys::fingerprint::set_origin

extern

set_protein_esp_to_zero

BooleanOptionKey const basic::options::OptionKeys::fingerprint::set_protein_esp_to_zero

extern

set_surface_esp_to_zero

BooleanOptionKey const basic::options::OptionKeys::fingerprint::set_surface_esp_to_zero

extern

square_score

BooleanOptionKey const basic::options::OptionKeys::fingerprint::square_score

extern

use_DARC_gpu

BooleanOptionKey const basic::options::OptionKeys::fingerprint::use_DARC_gpu

extern