Rosetta
2019.07
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Functions | |
utility::vector1< core::Size > | add_extra_bodies (core::pose::Pose &pose, basic::Tracer &TR) |
The purpose of this code is to allow for static extra things in the system; for its original incarnations, to allow for a RING domain to occlude its site on E2 and a GAP (+MG +GDP) to occlude ras. More... | |
void | pack_extra_bodies (utility::vector1< core::Size > const &extra_bodies_chains, core::pose::Pose const &pose, std::set< core::Size > ®ion, basic::Tracer &TR) |
void | ubq_ras_distance (core::pose::Pose const &pose, basic::Tracer &, protocols::jd2::JobOP job_me) |
void | ubq_ras_rotation_angle (core::pose::Pose const &pose, basic::Tracer &TR, protocols::jd2::JobOP job_me, core::Size const GTPase_target, bool const ubiquitin) |
void | create_extra_output (core::pose::Pose const &pose, basic::Tracer &TR, bool const ubiquitin, core::Size const GTPase_target) |
utility::vector1< core::Size > apps::public1::scenarios::chemically_conjugated_docking::add_extra_bodies | ( | core::pose::Pose & | pose, |
basic::Tracer & | TR | ||
) |
The purpose of this code is to allow for static extra things in the system; for its original incarnations, to allow for a RING domain to occlude its site on E2 and a GAP (+MG +GDP) to occlude ras.
extra bodies/////////////////////////////////////////////////
References basic::options::OptionKeys::cutoutdomain::end, basic::options::OptionKeys::chemically_conjugated_docking::extra_bodies, basic::options::option, and basic::options::OptionKeys::inout::dbms::user.
Referenced by UBQ_GTPase_disulfide_Mover::init_on_new_input(), and UBQ_E2Mover::init_on_new_input().
void apps::public1::scenarios::chemically_conjugated_docking::create_extra_output | ( | core::pose::Pose const & | pose, |
basic::Tracer & | TR, | ||
bool const | ubiquitin, | ||
core::Size const | GTPase_target | ||
) |
This function is specific to the original system for which this code was written - if you are not trying to duplicate the initial results you should remove it!
References ubq_ras_distance(), and ubq_ras_rotation_angle().
Referenced by UBQ_GTPase_disulfide_Mover::analyze_and_filter().
void apps::public1::scenarios::chemically_conjugated_docking::pack_extra_bodies | ( | utility::vector1< core::Size > const & | extra_bodies_chains, |
core::pose::Pose const & | pose, | ||
std::set< core::Size > & | region, | ||
basic::Tracer & | TR | ||
) |
void apps::public1::scenarios::chemically_conjugated_docking::ubq_ras_distance | ( | core::pose::Pose const & | pose, |
basic::Tracer & | , | ||
protocols::jd2::JobOP | job_me | ||
) |
do ubiquitin-ras pair distance measurement and reporting
References utility::FixedSizeLexicographicalIterator< S >::at_end(), utility::FixedSizeLexicographicalIterator< S >::begin(), distance(), and test.Workshop3test::ras.
Referenced by create_extra_output().
void apps::public1::scenarios::chemically_conjugated_docking::ubq_ras_rotation_angle | ( | core::pose::Pose const & | pose, |
basic::Tracer & | TR, | ||
protocols::jd2::JobOP | job_me, | ||
core::Size const | GTPase_target, | ||
bool const | ubiquitin | ||
) |
References numeric::angle_of(), numeric::conversions::degrees(), and numeric::dihedral_degrees().
Referenced by create_extra_output().