DockFragmentsMover Class Reference

Public Member Functions
void	run ()
void	cut_from_map (core::pose::Pose const &pose)
void	process_fragfile ()
core::fragment::FragSetOP	cluster_frags (core::fragment::FragSetOP fragments)
virtual std::string	get_name () const

Private Attributes
std::map< core::Size, core::fragment::Frame >	library_
std::map< core::Size, core::fragment::Frame >	libsmall_
core::Size	nmer_
core::Size	nmer_small_

Detailed Description

fpd – none of these are movers, since they do not follow the 1 struct in / 1 struct out model – they may be at some point ...

Member Function Documentation

cluster_frags()

core::fragment::FragSetOP DockFragmentsMover::cluster_frags

(

core::fragment::FragSetOP

fragments

)

References basic::Tracer::Debug, closure_error::error, basic::options::OptionKeys::in::path::fragments, numeric::kinematic_closure::frame(), min(), basic::options::OptionKeys::ddg::nfrags, basic::options::OptionKeys::loodo::num_frags, basic::options::option, and TR.

cut_from_map()

void DockFragmentsMover::cut_from_map

(

core::pose::Pose const &

pose

)

References basic::options::OptionKeys::edensity::debug, create_a3b_hbs::i, enumerate_junctions::int, create_a3b_hbs::j, natoms(), basic::options::option, beta_nonlocal::pose, ObjexxFCL::FArray3D< T >::u1(), ObjexxFCL::FArray3D< T >::u2(), ObjexxFCL::FArray3D< T >::u3(), x, predPRE::y, and predPRE::z.

get_name()

virtual std::string DockFragmentsMover::get_name ( ) const

inlinevirtual

process_fragfile()

void DockFragmentsMover::process_fragfile

(

)

References utility::options::PathVectorOptionKey::clone(), basic::options::OptionKeys::in::path::fragments, create_a3b_hbs::i, max(), min(), basic::options::option, runtime_assert, and TR.

run()

void DockFragmentsMover::run

(

)

References basic::options::OptionKeys::matdes::dock::dock, create_a3b_hbs::f, in::file::fasta(), detail::find(), basic::options::OptionKeys::in::file::fold_tree, basic::options::OptionKeys::frags::frags, numeric::kinematic_closure::frame(), create_a3b_hbs::i, kmeans_adaptive_kernel_density_bb_dependent_rotlib::idx, enumerate_junctions::int, create_a3b_hbs::j, in::file::native(), docking::native_pose, create_a3b_hbs::nres, basic::options::option, option, make_symmdef_file_denovo::pos, pyrosetta.distributed.io::pose_from_file, ReadCAsFromPDB(), basic::options::OptionKeys::in::file::residue_type_set, basic::options::OptionKeys::relax::sequence, out::file::silent(), utility::to_string(), TR, and basic::options::OptionKeys::inout::dbms::user.

Referenced by main().

Member Data Documentation

library_

std::map<core::Size, core::fragment::Frame> DockFragmentsMover::library_

private

libsmall_

std::map<core::Size, core::fragment::Frame> DockFragmentsMover::libsmall_

private

nmer_

core::Size DockFragmentsMover::nmer_

private

nmer_small_

core::Size DockFragmentsMover::nmer_small_

private

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The documentation for this class was generated from the following file:

• src/apps/public/electron_density/denovo_density.cc