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Rosetta
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#include <core/types.hh>#include <core/chemical/AA.hh>#include <core/conformation/Residue.hh>#include <core/conformation/ResidueMatcher.hh>#include <core/chemical/ResidueTypeSet.hh>#include <core/chemical/ResidueTypeSelector.hh>#include <core/conformation/ResidueFactory.hh>#include <core/scoring/ScoreFunction.hh>#include <core/scoring/ScoreFunctionFactory.hh>#include <core/scoring/TenANeighborGraph.hh>#include <core/scoring/Energies.hh>#include <core/kinematics/MoveMap.hh>#include <core/pose/Pose.hh>#include <basic/options/util.hh>#include <basic/options/after_opts.hh>#include <basic/options/keys/OptionKeys.hh>#include <devel/init.hh>#include <core/io/pdb/pdb_writer.hh>#include <numeric/xyzVector.hh>#include <numeric/random/random.hh>#include <fstream>#include <iostream>#include <sstream>#include <ios>#include <utility/io/izstream.hh>#include <core/io/silent/SilentFileData.hh>#include <core/io/silent/ProteinSilentStruct.hh>#include <core/io/silent/silent.fwd.hh>#include <core/io/silent/BinarySilentStruct.hh>#include <core/chemical/ResidueTypeSet.fwd.hh>#include <core/chemical/ChemicalManager.hh>#include <cstdlib>#include <string>#include <basic/Tracer.hh>#include <core/scoring/sasa.hh>#include <core/scoring/rms_util.hh>#include <core/scoring/ScoringManager.hh>#include <core/id/AtomID_Map.hh>#include <core/id/AtomID.hh>#include <core/pose/Pose.fwd.hh>#include <basic/options/option.hh>#include <basic/options/keys/pose_metrics.OptionKeys.gen.hh>#include <basic/basic.hh>#include <basic/database/open.hh>#include <protocols/minimization_packing/RotamerTrialsMover.hh>#include <protocols/moves/Mover.hh>#include <protocols/evaluation/RmsdEvaluator.hh>#include <utility/file/FileName.hh>#include <utility/vector1.hh>#include <utility/io/ozstream.hh>#include <utility/excn/Exceptions.hh>#include <core/scoring/methods/RG_Energy_Fast.hh>#include <ObjexxFCL/format.hh>#include <core/import_pose/import_pose.hh>Functions | |
| double | reference_sasa (core::chemical::AA aminoacid) |
| int | main (int argc, char *argv[]) |
| int main | ( | int | argc, |
| char * | argv[] | ||
| ) |
utility::vector1<double> sasa_calpha_beta(core::pose::Pose p, double probe_size){ computes sasa of increased probe size over a protein structure of backbone atoms and C-betas core::pose::Pose copy(p); trim down to c-betas
calculate sasa
} void set_lk_dgfree_to_1(core::chemical::ResidueTypeSetOP rsd_set){ core::chemical::AtomTypeSets atom_set = rsd_set-> }
References argv, utility::graph::Node::const_edge_list_end(), utility::io::oc::cout, test.T009_Exceptions::e, create_a3b_hbs::f, ObjexxFCL::format::F(), PREcst::fname, utility::graph::Edge::get_node(), h, create_a3b_hbs::i, basic::init(), in::file::l(), basic::options::OptionKeys::in::file::list, basic::options::option, option, pdbs, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, bur_nodon_tyr::probe_radius, reference_sasa(), basic::options::OptionKeys::remodel::rg, in::file::s(), pose_metrics::sasa_calculator_probe_radius(), basic::options::OptionKeys::frags::scoring::scoring, sfd, basic::options::OptionKeys::in::file::silent, in::file::silent(), challenge::ss, basic::options::OptionKeys::inout::dbms::user, and basic::options::OptionKeys::mp::visualize::width.
| double reference_sasa | ( | core::chemical::AA | aminoacid | ) |
References basic::options::OptionKeys::chemical::chemical.
Referenced by main().
1.9.1