Rosetta
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#include <devel/init.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <basic/options/option.hh>
#include <basic/Tracer.hh>
#include <basic/MetricValue.hh>
#include <core/id/types.hh>
#include <core/scoring/rms_util.hh>
#include <core/scoring/packing/compute_holes_score.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/TenANeighborGraph.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyGraph.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/conformation/Residue.hh>
#include <core/types.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pose/metrics/CalculatorFactory.hh>
#include <core/pose/metrics/simple_calculators/InterfaceNeighborDefinitionCalculator.hh>
#include <core/import_pose/import_pose.hh>
#include <core/scoring/methods/Methods.hh>
#include <core/scoring/LREnergyContainer.hh>
#include <core/scoring/constraints/util.hh>
#include <utility/vector1.hh>
#include <numeric/xyzVector.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>
Functions | |
void | register_metrics () |
core::Real | compute_interface_energy (core::pose::Pose &this_pose) |
int | main (int argc, char *argv[]) |
Variables | |
static basic::Tracer | TR ("apps.score_interface") |
core::Real compute_interface_energy | ( | core::pose::Pose & | this_pose | ) |
References utility::graph::Node::const_upper_edge_list_end(), utility::graph::Edge::get_node(), create_a3b_hbs::i, create_a3b_hbs::j, and basic::MetricValue< T >::value().
Referenced by main().
int main | ( | int | argc, |
char * | argv[] | ||
) |
References argv, compute_interface_energy(), create_a3b_hbs::i, basic::init(), basic::options::option, pdbs, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, register_metrics(), basic::options::OptionKeys::in::file::s, beta_nonlocal::score_fxn, vancomycin::task, and basic::options::TR.
void register_metrics | ( | ) |
Referenced by main().
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static |