|
Rosetta
|
#include <basic/options/option.hh>#include <basic/options/keys/in.OptionKeys.gen.hh>#include <basic/options/keys/out.OptionKeys.gen.hh>#include <basic/options/keys/relax.OptionKeys.gen.hh>#include <basic/options/option_macros.hh>#include <basic/Tracer.hh>#include <core/conformation/Residue.hh>#include <core/conformation/Conformation.hh>#include <devel/init.hh>#include <core/pack/pack_rotamers.hh>#include <core/pack/task/TaskFactory.hh>#include <core/pack/task/PackerTask.hh>#include <core/pack/task/operation/TaskOperations.hh>#include <core/import_pose/import_pose.hh>#include <core/scoring/hbonds/HBondSet.hh>#include <core/scoring/hbonds/hbonds.hh>#include <core/conformation/util.hh>#include <core/io/pdb/pdb_writer.hh>#include <core/pose/Pose.hh>#include <core/pose/util.hh>#include <core/scoring/Energies.hh>#include <core/scoring/rms_util.hh>#include <core/scoring/ScoreFunction.hh>#include <core/scoring/ScoreFunctionFactory.hh>#include <core/sequence/util.hh>#include <core/sequence/Sequence.hh>#include <numeric/xyz.functions.hh>#include <numeric/xyz.io.hh>#include <ObjexxFCL/FArray2D.hh>#include <ObjexxFCL/format.hh>#include <ObjexxFCL/string.functions.hh>#include <core/scoring/dssp/Dssp.hh>#include <sstream>#include <utility/io/izstream.hh>#include <utility/io/ozstream.hh>#include <stdio.h>#include <protocols/simple_moves/MutateResidue.hh>#include <protocols/relax/FastRelax.fwd.hh>#include <protocols/relax/FastRelax.hh>#include <core/kinematics/MoveMap.hh>#include <protocols/minimization_packing/MinMover.hh>#include <protocols/minimization_packing/RepackSidechainsMover.hh>#include <protocols/simple_moves/chiral/ChiralMover.hh>#include <numeric/random/random.hh>#include <numeric/random/uniform.hh>#include <core/optimization/MinimizerOptions.hh>#include <core/optimization/CartesianMinimizer.hh>#include <core/scoring/func/HarmonicFunc.hh>#include <core/scoring/func/CircularHarmonicFunc.hh>#include <core/scoring/constraints/AtomPairConstraint.hh>#include <core/scoring/constraints/AngleConstraint.hh>#include <core/scoring/constraints/DihedralConstraint.hh>#include <core/scoring/constraints/ConstraintSet.hh>#include <core/chemical/ChemicalManager.hh>#include <core/chemical/ResidueTypeSet.hh>#include <core/pose/annotated_sequence.hh>#include <core/conformation/ResidueFactory.hh>#include <core/optimization/AtomTreeMinimizer.hh>#include <protocols/loops/loop_closure/kinematic_closure/KinematicMover.hh>#include <protocols/loops/loop_closure/kinematic_closure/KinematicWrapper.hh>Macros | |
| #define | PI 3.1415926535897932384626433832795 |
| #define | CNCa_ANGLE 121.7 |
| #define | CNH_ANGLE 119.15 |
| #define | CaCN_ANGLE 116.2 |
| #define | OCN_ANGLE 123.01 |
Functions | |
| void | register_options () |
| void | constrain_loop_ends (core::pose::Pose &mypose, const core::Size resC, const core::Size resN, core::scoring::ScoreFunctionOP sfxn_constrained) |
| int | main (int argc, char *argv[]) |
| #define CaCN_ANGLE 116.2 |
| #define CNCa_ANGLE 121.7 |
| #define CNH_ANGLE 119.15 |
| #define OCN_ANGLE 123.01 |
| #define PI 3.1415926535897932384626433832795 |
| void constrain_loop_ends | ( | core::pose::Pose & | mypose, |
| const core::Size | resC, | ||
| const core::Size | resN, | ||
| core::scoring::ScoreFunctionOP | sfxn_constrained | ||
| ) |
References CaCN_ANGLE, CNCa_ANGLE, CNH_ANGLE, basic::options::OptionKeys::constraints::constraints, func, OCN_ANGLE, PI, and basic::options::OptionKeys::frags::scoring::scoring.
Referenced by main().
| int main | ( | int | argc, |
| char * | argv[] | ||
| ) |
References argv, constrain_loop_ends(), basic::options::OptionKeys::constraints::constraints, utility::options::OptionKeys::options::exit, basic::init(), beta_nonlocal::mm, create_a3b_hbs::nres, basic::options::option, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, printf(), register_options(), in::file::s(), basic::options::OptionKeys::frags::scoring::scoring, test.T120_core::sfxn, build::stdout, and basic::options::OptionKeys::inout::dbms::user.
| void register_options | ( | ) |
Referenced by main().