Rosetta 3.4
Public Member Functions | Public Attributes
protocols::flexpep_docking::FlexPepDockingFlags Class Reference

#include <FlexPepDockingFlags.hh>

Inheritance diagram for protocols::flexpep_docking::FlexPepDockingFlags:
Inheritance graph
Collaboration diagram for protocols::flexpep_docking::FlexPepDockingFlags:
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List of all members.

Public Member Functions

 FlexPepDockingFlags ()
 initialize all flags from cmd-line options
FlexPepDockingFlagsOP clone () const
void updateChains (core::pose::Pose const &pose)
void setDefaultAnchors (core::pose::Pose &pose)
void updateChainsAndAnchors_fromParamsFile (std::string const &params_file)
bool valid_chain_info () const
bool valid_receptor_chain () const
bool valid_peptide_chain () const
bool valid_anchors () const
bool is_ligand_present (core::pose::Pose const &pose) const
char receptor_chain () const
char peptide_chain () const
void set_receptor_chain (char ch)
void set_peptide_chain (char ch)
int receptor_first_res () const
int receptor_last_res () const
int receptor_nres () const
int peptide_first_res () const
int peptide_last_res () const
int peptide_nres () const
std::string ref_start_struct () const
bool valid_ref_start_struct () const

Public Attributes

bool pep_fold_only
int receptor_anchor_pos
std::map< int, intpeptide_cuts
std::map< int, intpeptide_anchors
std::string params_file
bool lowres_abinitio
bool lowres_preoptimize
bool min_only
bool pep_refine
bool random_phi_psi_pert
double random_phi_psi_pert_size
bool extend
bool randomRBstart
bool rbMCM
double rb_trans_size
double rb_rot_size
bool torsionsMCM
bool peptide_loop_model
double smove_angle_range
bool design_peptide
bool backrub_opt
bool boost_fa_atr
bool ramp_fa_rep
bool ramp_rama
int rep_ramp_cycles
int mcm_cycles
bool min_receptor_bb
bool score_only
bool use_cen_score
bool ppk_only
bool no_prepack1
bool no_prepack2
double score_filter
int hb_filter
int hotspot_filter
double frag3_weight
double frag5_weight
double frag9_weight
bool pSer2Asp_centroid
bool pSer2Glu_centroid
bool dumpPDB_abinitio
bool dumpPDB_lowres
bool dumpPDB_hires

Constructor & Destructor Documentation

protocols::flexpep_docking::FlexPepDockingFlags::FlexPepDockingFlags ( )

initialize all flags from cmd-line options


Referenced by clone().

Member Function Documentation

FlexPepDockingFlagsOP protocols::flexpep_docking::FlexPepDockingFlags::clone ( ) const [inline]

References FlexPepDockingFlags().

bool FlexPepDockingFlags::is_ligand_present ( core::pose::Pose const &  pose) const
char FlexPepDockingFlags::peptide_chain ( ) const

References valid_chain_info().

int FlexPepDockingFlags::peptide_first_res ( ) const

References valid_chain_info().

int FlexPepDockingFlags::peptide_last_res ( ) const

References valid_chain_info().

int FlexPepDockingFlags::peptide_nres ( ) const

References valid_chain_info().

char FlexPepDockingFlags::receptor_chain ( ) const
int FlexPepDockingFlags::receptor_first_res ( ) const
int FlexPepDockingFlags::receptor_last_res ( ) const
int FlexPepDockingFlags::receptor_nres ( ) const
std::string FlexPepDockingFlags::ref_start_struct ( ) const
void protocols::flexpep_docking::FlexPepDockingFlags::set_peptide_chain ( char  ch) [inline]
void protocols::flexpep_docking::FlexPepDockingFlags::set_receptor_chain ( char  ch) [inline]
void FlexPepDockingFlags::setDefaultAnchors ( core::pose::Pose pose)
void FlexPepDockingFlags::updateChains ( core::pose::Pose const &  pose)
void FlexPepDockingFlags::updateChainsAndAnchors_fromParamsFile ( std::string const &  params_file)

References protocols::TR().

bool protocols::flexpep_docking::FlexPepDockingFlags::valid_anchors ( ) const [inline]
bool protocols::flexpep_docking::FlexPepDockingFlags::valid_chain_info ( ) const [inline]
bool protocols::flexpep_docking::FlexPepDockingFlags::valid_peptide_chain ( ) const [inline]
bool protocols::flexpep_docking::FlexPepDockingFlags::valid_receptor_chain ( ) const [inline]
bool FlexPepDockingFlags::valid_ref_start_struct ( ) const

Referenced by ref_start_struct().

Member Data Documentation

Referenced by valid_anchors().

Referenced by valid_anchors().

Referenced by valid_anchors().

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