Low-resolution (centroid-mode) filter for docking. Checks (1) at least some contact is being made between docking partners, (2) clashes are limited so partners are not overlapping and (3) constraints, if present, are met. More...
#include <DockFilters.hh>
Public Member Functions | |
| DockingLowResFilter () | |
| DockingLowResFilter (const DockingLowResFilter &init) | |
| ~DockingLowResFilter () override | |
| void | set_use_constraints (bool flag, core::Real cutoff=1.0) |
| bool | apply (core::pose::Pose const &pose) const override |
| add docking constraints More... | |
| void | report (std::ostream &out, core::pose::Pose const &pose) const override |
| protocols::filters::FilterOP | clone () const override |
| protocols::filters::FilterOP | fresh_instance () const override |
 Public Member Functions inherited from protocols::filters::Filter | |
| Filter () | |
| Filter (std::string const &) | |
| ~Filter () override | |
| virtual core::Real | report_sm (core::pose::Pose const &) const |
| used to report filter internals through a score or silent file More... | |
| virtual std::string | get_type () const |
| std::string | get_user_defined_name () const |
| void | set_user_defined_name (std::string const &name) |
| virtual void | clear () |
| used to clear internal variables if needed. Using fresh_instance is preferred since it's a pure virtual More... | |
| virtual void | parse_my_tag (utility::tag::TagCOP, basic::datacache::DataMap &) |
| Called by FilterFactory when constructing new Filter. Takes care of the specific mover's parsing. More... | |
| virtual core::Real | score (core::pose::Pose &pose) |
| virtual std::string | name () const |
| virtual void | provide_citation_info (basic::citation_manager::CitationCollectionList &) const |
| Provide citations to the passed CitationCollectionList Subclasses should add the info for themselves and any other classes they use. More... | |
Private Attributes | |
| bool | use_constraints_ |
| protocols::filters::FilterCollectionOP | filters_ |
| boolean to indicate if constraints are used More... | |
Additional Inherited Members | |
| Protected Attributes inherited from protocols::filters::Filter | |
| std::string | scorename_ |
Detailed Description
Low-resolution (centroid-mode) filter for docking. Checks (1) at least some contact is being made between docking partners, (2) clashes are limited so partners are not overlapping and (3) constraints, if present, are met.
Constructor & Destructor Documentation
◆ DockingLowResFilter() [1/2]
| protocols::docking::DockingLowResFilter::DockingLowResFilter | ( | ) |
◆ DockingLowResFilter() [2/2]
|
default |
◆ ~DockingLowResFilter()
|
overridedefault |
Member Function Documentation
◆ apply()
|
overridevirtual |
◆ clone()
|
inlineoverridevirtual |
Implements protocols::filters::Filter.
◆ fresh_instance()
|
inlineoverridevirtual |
Implements protocols::filters::Filter.
◆ report()
|
overridevirtual |
Reimplemented from protocols::filters::Filter.
References filters_, and core::conformation::membrane::out.
◆ set_use_constraints()
| void protocols::docking::DockingLowResFilter::set_use_constraints | ( | bool | flag, |
| core::Real | cutoff = 1.0 |
||
| ) |
References core::scoring::atom_pair_constraint, filters_, and use_constraints_.
Member Data Documentation
◆ filters_
|
private |
boolean to indicate if constraints are used
Referenced by apply(), DockingLowResFilter(), report(), and set_use_constraints().
◆ use_constraints_
|
private |
Referenced by set_use_constraints().
The documentation for this class was generated from the following files:
- src/protocols/docking/DockFilters.hh
- src/protocols/docking/DockFilters.cc
