Rosetta  2020.37
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Functions | Variables
mg_modeler.cc File Reference
#include <core/types.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/import_pose/import_pose.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <protocols/magnesium/util.hh>
#include <protocols/magnesium/minimize_util.hh>
#include <protocols/magnesium/MgOrbitalFrameFinder.hh>
#include <protocols/magnesium/MgWaterHydrogenPacker.hh>
#include <protocols/magnesium/MgHydrater.hh>
#include <protocols/magnesium/MgMonteCarlo.hh>
#include <protocols/magnesium/MgScanner.hh>
#include <protocols/viewer/viewers.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <basic/Tracer.hh>
#include <devel/init.hh>
#include <utility/vector1.hh>
#include <utility/tools/make_vector1.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <basic/options/keys/magnesium.OptionKeys.gen.hh>

Functions

void mg_modeler_test ()
 
void * my_main (void *)
 
int main (int argc, char *argv[])
 

Variables

static basic::Tracer TR ("mg_modeler")
 

Function Documentation

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

References magnesium::montecarlo::add_delete_frequency(), magnesium::all_hydration_frames(), basic::Tracer::Blue, basic::options::OptionKeys::chemical::chemical, utility::io::oc::cout, magnesium::montecarlo::cycles(), magnesium::montecarlo::dump(), erraser::file_path, magnesium::fixup(), magnesium::hydrate(), in::file::input_res(), magnesium::integration_test(), magnesium::leave_other_waters(), magnesium::ligand_res(), magnesium::lores_scan(), basic::options::OptionKeys::magnesium::magnesium, utility::tools::make_vector1(), magnesium::mg_res(), magnesium::minimize(), magnesium::minimize_during_scoring(), magnesium::minimize_mg_coord_constraint_distance(), magnesium::monte_carlo(), out::file::o(), option, options, erraser_single_res_analysis::outfile, magnesium::pack_water_hydrogens(), in::path::pdb(), out::path::pdb(), demo.D010_Pose_structure::pose, pyrosetta.distributed.io::pose_from_file, magnesium::pose_ligand_res(), test.Workshop8test::reference_pose, utility::replace_in(), basic::Tracer::Reset, basic::options::OptionKeys::in::file::residue_type_set, runtime_assert, in::file::s(), magnesium::score_cut(), magnesium::score_cut_PDB(), magnesium::scored_hydrogen_sampling(), basic::options::OptionKeys::DisulfideInsertion::scorefxn, basic::options::OptionKeys::frags::scoring::scoring, out::file::silent(), tag, magnesium::montecarlo::temperature(), magnesium::tether_to_closest_res(), TR, basic::options::OptionKeys::inout::dbms::user, utility_exit_with_message, score::weights(), and magnesium::xyz_step().

Referenced by my_main().

void* my_main ( void *  )

Variable Documentation

basic::Tracer TR("mg_modeler")
static

Referenced by mg_modeler_test().