|
Rosetta
|
#include <core/types.hh>#include <core/chemical/ChemicalManager.hh>#include <core/import_pose/import_pose.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.fwd.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") |
| int main | ( | int | argc, |
| char * | argv[] | ||
| ) |
References magnesium::montecarlo::add_delete_frequency(), magnesium::all_hydration_frames(), argv, magnesium::montecarlo::cycles(), magnesium::montecarlo::dump(), test.T009_Exceptions::e, magnesium::fixup(), magnesium::hydrate(), basic::init(), magnesium::integration_test(), magnesium::leave_other_waters(), magnesium::ligand_res(), magnesium::lores_scan(), magnesium::mg_res(), magnesium::minimize(), magnesium::minimize_during_scoring(), magnesium::minimize_mg_coord_constraint_distance(), magnesium::monte_carlo(), my_main(), NEW_OPT, option, magnesium::pack_water_hydrogens(), magnesium::pose_ligand_res(), magnesium::scan(), magnesium::score_cut(), magnesium::score_cut_PDB(), magnesium::scored_hydrogen_sampling(), out::file::silent(), magnesium::montecarlo::temperature(), magnesium::tether_to_closest_res(), viewer_main(), and magnesium::xyz_step().
| 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, lactamize::outfile, magnesium::pack_water_hydrogens(), in::path::pdb(), out::path::pdb(), beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, magnesium::pose_ligand_res(), enumerate_junctions::q, 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(), oop_conformations::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 * | ) |
References utility::io::oc::cout, utility::options::OptionKeys::options::exit, and mg_modeler_test().
Referenced by main().
|
static |
Referenced by mg_modeler_test().
1.9.1