conserve_disulfides.cc File Reference

Confirms that disulfides are conserved across the cen<=>fa transition. More...

#include <devel/init.hh>
#include <utility/vector1.hh>
#include <core/pose/Pose.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/pose/disulfide_util.hh>
#include <basic/options/util.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/option.hh>
#include <core/pack/rotamer_trials.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/pack_rotamers.hh>
#include <protocols/minimization_packing/MinMover.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/disulfides/FullatomDisulfidePotential.hh>
#include <core/scoring/constraints/BoundConstraint.hh>
#include <core/scoring/constraints/AtomPairConstraint.hh>
#include <core/scoring/constraints/ConstraintSet.hh>
#include <apps/pilot/blivens/disulfides.hh>
#include <utility>
#include <basic/Tracer.hh>
#include <core/import_pose/import_pose.hh>
#include <core/pose/util.hh>
#include <core/util/SwitchResidueTypeSet.hh>

Functions
int	usage (char *msg)
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("pilot_apps.blivens.disulfide_handoff")

Detailed Description

Confirms that disulfides are conserved across the cen<=>fa transition.

Author

Spencer Bliven blive.nosp@m.ns@u.nosp@m..wash.nosp@m.ingt.nosp@m.on.ed.nosp@m.u

Date

Created September 2008

Command Line

conserve_disulfides -s input.pdb -o output.pdb -database db 

Function Documentation

main()

int main	(	int	argc,
		char *	argv[]
	)

References argv, basic::options::OptionKeys::remodel::cen_sfxn, pyrosetta::create_score_function, test.T009_Exceptions::e, basic::init(), option, lactamize::outfile, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, out::prefix(), in::file::s(), basic::options::start_file(), TR, usage(), and basic::options::OptionKeys::inout::dbms::user.

usage()

int usage

(

char *

msg

)

References utility::options::OptionKeys::options::exit, and TR.

Referenced by basic::get_usage_from_procfilesystem(), and main().

Variable Documentation

TR

basic::Tracer TR("pilot_apps.blivens.disulfide_handoff") ( "pilot_apps.blivens.disulfide_handoff"  )

static

Referenced by main(), and usage().