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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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