An app that takes a rotamer library that should be symmetric (e.g. a peptoid rotamer library) and generates a symmetrized version. More...

#include <devel/init.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/chemical/ResidueType.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/pack/rotamers/SingleNCAARotamerLibraryCreator.hh>
#include <utility/excn/Exceptions.hh>
#include <basic/Tracer.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/OptionKeys.hh>
#include <utility/options/OptionCollection.hh>
#include <basic/options/option_macros.hh>

Functions
static const std::string	errmsg ("Error in symmetrize_rotlib application: ")

void	register_options ()
	Register the relevant options for the –help flag. More...

void	get_symm_residue_name (std::string &srn)
	Read from the global options system to get the input and output files. More...

int	main (int argc, char *argv[])
	Entry point for program execution. More...

Variables
static basic::Tracer	TR ("symmetrize_rotlib")

Detailed Description

An app that takes a rotamer library that should be symmetric (e.g. a peptoid rotamer library) and generates a symmetrized version.

Author: Vikram K. Mulligan (vmull.nosp@m.igan.nosp@m.@flat.nosp@m.iron.nosp@m.insti.nosp@m.tute.nosp@m..org)

Function Documentation

◆ errmsg()

static const std::string errmsg ( "Error in symmetrize_rotlib application: " )

static

Referenced by basic::resource_manager::ResourceLoaderFactory::factory_register(), basic::resource_manager::ResourceLocatorFactory::factory_register(), get_options_from_options_collection(), get_symm_residue_name(), basic::citation_manager::Citation::initialize_from_string(), main(), make_sequence_change(), utility::parse_boolean(), utility::parse_out(), basic::citation_manager::CitationManager::populate_doi_rosetta_citation_map(), and numeric::interpolation::spline_from_stream().

◆ get_symm_residue_name()

void get_symm_residue_name ( std::string & srn )

Read from the global options system to get the input and output files.

Throws error if these options were not provided.

References basic::options::OptionKeys::score::empty, errmsg(), basic::options::option, runtime_assert_string_msg, and basic::options::OptionKeys::inout::dbms::user.

Referenced by main().

◆ main()

int main	(	int	argc,
		char *	argv[]
	)

Entry point for program execution.

References argv, kmeans_adaptive_kernel_density_bb_dependent_rotlib::c, utility::io::oc::cout, test.T009_Exceptions::e, get_symm_residue_name(), basic::init(), register_options(), torsion_scoring::residue_name, beta_nonlocal::rts, and basic::options::TR.

◆ register_options()

void register_options ( )

Register the relevant options for the –help flag.

References NEW_OPT.

Referenced by main().

Variable Documentation

◆ TR

basic::Tracer TR("symmetrize_rotlib") ( "symmetrize_rotlib" )