IMP::atom::CHARMMSegmentTopology Class Reference
The topology of a single CHARMM segment in a model. More...
#include <IMP/atom/charmm_segment_topology.h>
Inheritance diagram for IMP::atom::CHARMMSegmentTopology:Public Member Functions | |
| CHARMMSegmentTopology (std::string name="CHARMM segment topology %1%") | |
| void | apply_default_patches (const CHARMMParameters *ff) |
| Apply patches to the first and last residue in the segment. More... | |
| virtual void | do_show (std::ostream &out) const |
| Public Member Functions inherited from IMP::base::Object | |
| virtual void | clear_caches () |
| virtual IMP::base::VersionInfo | get_version_info () const =0 |
| Get information about the module and version of the object. | |
| void | set_check_level (CheckLevel l) |
| void | set_log_level (LogLevel l) |
| Set the logging level used in this object. More... | |
| void | set_was_used (bool tf) const |
| void | show (std::ostream &out=std::cout) const |
| const std::string & | get_name () const |
| void | set_name (std::string name) |
Related Functions | |
(Note that these are not member functions.) | |
| typedef IMP::base::Vector < IMP::base::WeakPointer < CHARMMSegmentTopology > > | CHARMMSegmentTopologiesTemp |
| Related Functions inherited from IMP::base::Object | |
| typedef IMP::base::Vector < IMP::base::WeakPointer < Object > > | ObjectsTemp |
Residues | |
| void | remove_residue (CHARMMResidueTopology *d) |
| void | remove_residues (const CHARMMResidueTopologies &d) |
| void | set_residues (const CHARMMResidueTopologies &ps) |
| void | set_residues_order (const CHARMMResidueTopologies &objs) |
| unsigned int | add_residue (CHARMMResidueTopology *obj) |
| void | add_residues (const CHARMMResidueTopologies &objs) |
| void | clear_residues () |
| unsigned int | get_number_of_residues () const |
| bool | get_has_residues () |
| CHARMMResidueTopology * | get_residue (unsigned int i) const |
| CHARMMResidueTopologies | get_residues () const |
| void | reserve_residues (unsigned int sz) |
Additional Inherited Members | |
| Protected Member Functions inherited from IMP::base::Object | |
| Object (std::string name) | |
| Construct an object with the given name. More... | |
Detailed Description
CHARMM segments typically correspond to IMP::atom::Chain particles.
Definition at line 23 of file charmm_segment_topology.h.
Member Function Documentation
| void IMP::atom::CHARMMSegmentTopology::apply_default_patches | ( | const CHARMMParameters * | ff | ) |
Default patches are defined for each residue type in the topology file. For example, segments containing amino acids will by default apply the CTER and NTER patches to the C and N termini, respectively.
Friends And Related Function Documentation
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related |
Pass a set of objects.
Definition at line 47 of file charmm_segment_topology.h.
The documentation for this class was generated from the following file: