basic::options::OptionKeys::ligand_evolution Namespace Reference

Variables
BooleanOptionKey const	ligand_evolution
FileOptionKey const	options
RealVectorOptionKey const	xyz
IntegerOptionKey const	external_scoring
FileOptionKey const	smiles_file
IntegerOptionKey const	n_scoring_runs
StringOptionKey const	ligand_chain
PathOptionKey const	pose_output_directory
StringOptionKey const	main_scfx
FileOptionKey const	score_mem_path
FileOptionKey const	reagent_file
FileOptionKey const	reaction_file
StringOptionKey const	main_term
IntegerOptionKey const	n_generations

Variable Documentation

external_scoring

IntegerOptionKey const basic::options::OptionKeys::ligand_evolution::external_scoring

extern

ligand_chain

StringOptionKey const basic::options::OptionKeys::ligand_evolution::ligand_chain

extern

Referenced by main().

ligand_evolution

BooleanOptionKey const basic::options::OptionKeys::ligand_evolution::ligand_evolution

extern

main_scfx

StringOptionKey const basic::options::OptionKeys::ligand_evolution::main_scfx

extern

main_term

StringOptionKey const basic::options::OptionKeys::ligand_evolution::main_term

extern

n_generations

IntegerOptionKey const basic::options::OptionKeys::ligand_evolution::n_generations

extern

n_scoring_runs

IntegerOptionKey const basic::options::OptionKeys::ligand_evolution::n_scoring_runs

extern

options

FileOptionKey const basic::options::OptionKeys::ligand_evolution::options

extern

pose_output_directory

PathOptionKey const basic::options::OptionKeys::ligand_evolution::pose_output_directory

extern

reaction_file

FileOptionKey const basic::options::OptionKeys::ligand_evolution::reaction_file

extern

reagent_file

FileOptionKey const basic::options::OptionKeys::ligand_evolution::reagent_file

extern

score_mem_path

FileOptionKey const basic::options::OptionKeys::ligand_evolution::score_mem_path

extern

smiles_file

FileOptionKey const basic::options::OptionKeys::ligand_evolution::smiles_file

extern

xyz

RealVectorOptionKey const basic::options::OptionKeys::ligand_evolution::xyz

extern