Rosetta
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#include <basic/Tracer.hh>
#include <basic/options/util.hh>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <core/import_pose/import_pose.hh>
#include <devel/init.hh>
#include <core/scoring/LREnergyContainer.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyGraph.hh>
#include <utility/graph/Graph.hh>
#include <core/scoring/methods/Methods.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pose/Pose.hh>
#include <utility/vector1.hh>
#include <string>
#include <fstream>
Functions | |
core::Size | get_pose_resnum (int const pdbnum, char const pdbchn, core::pose::Pose &ps) |
Returns the residue number of a residue in a pose. More... | |
bool | in_set (utility::vector1< Size > const &vec, Size const tgt) |
Returns true if a vector of Size contains a given element; returns false otherwise. More... | |
int | main (int argc, char *argv[]) |
Variables | |
static basic::Tracer | TR ("apps.pilot.nrg_res_set") |
core::Size get_pose_resnum | ( | int const | pdbnum, |
char const | pdbchn, | ||
core::pose::Pose & | ps | ||
) |
Returns the residue number of a residue in a pose.
@parm[in] pdbnum residue number of the residue in its PDB file. @parm[in] pdbchn chain identifier of the residue in the PDB file. @parm[in] ps pose that the residue has been loaded into.
References utility::options::OptionKeys::options::exit, create_a3b_hbs::j, and basic::options::TR.
Referenced by main().
bool in_set | ( | utility::vector1< Size > const & | vec, |
Size const | tgt | ||
) |
Returns true if a vector of Size contains a given element; returns false otherwise.
[in] | vec | the vector |
[in] | tgt | the target element |
References create_a3b_hbs::i, N, and vec().
Referenced by main().
int main | ( | int | argc, |
char * | argv[] | ||
) |
References argv, utility::graph::Node::const_edge_list_end(), test.T009_Exceptions::e, utility::graph::Edge::get_node(), get_pose_resnum(), create_a3b_hbs::i, in_set(), basic::init(), NEW_OPT, basic::options::option, pyrosetta.distributed.io::pose_from_file, oop_conformations::scorefxn, basic::options::start_file(), basic::options::TR, and weights().
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static |