Inherits QSScorer.
Public Member Functions | |
| __init__ (self, ref, mdl, ref_chem_groups, mdl_chem_groups, ref_mdl_alns, contact_d=12.0, steep_opt_rate=None, greedy_prune_contact_map=False) | |
| SCCounts (self, ref_ch, mdl_ch) | |
| ExtendMapping (self, mapping, max_ext=None) | |
 Public Member Functions inherited from QSScorer | |
| qsent1 (self) | |
| chem_groups (self) | |
| qsent2 (self) | |
| alns (self) | |
| Score (self, mapping, check=True) | |
| ScoreInterface (self, trg_ch1, trg_ch2, mdl_ch1, mdl_ch2) | |
| FromFlatMapping (self, flat_mapping) | |
Data Fields | |
| ref | |
| mdl | |
| ref_mdl_alns | |
| steep_opt_rate | |
| neighbors | |
| mdl_neighbors | |
| ref_chem_groups | |
| mdl_chem_groups | |
| ref_ch_group_mapper | |
| mdl_ch_group_mapper | |
| single_chain_scorer | |
| single_chain_cache | |
| Data Fields inherited from QSScorer | |
| chem_groups | |
| qsent1 | |
| qsent2 | |
Protected Member Functions | |
| _SteepOpt (self, mapping, chains_to_optimize=None) | |
| Protected Member Functions inherited from QSScorer | |
| _MappedInterfaceScores (self, int1, int2) | |
| _InterfaceScores (self, int1, int2) | |
| _IndexMapping (self, ch1, ch2) | |
| _InterfacePenalty1 (self, interface) | |
| _InterfacePenalty2 (self, interface) | |
| _InterfacePenalty (self, qsent, interface) | |
Additional Inherited Members | |
| Static Public Member Functions inherited from QSScorer | |
| FromMappingResult (mapping_result) | |
| Protected Attributes inherited from QSScorer | |
| _qsent1 | |
| _chem_groups | |
| _qsent2 | |
| _alns | |
| _mapped_cache | |
| _qsent_1_penalties | |
| _qsent_2_penalties | |
Detailed Description
Definition at line 2779 of file chain_mapping.py.
Constructor & Destructor Documentation
◆ __init__()
| __init__ | ( | self, | |
| ref, | |||
| mdl, | |||
| ref_chem_groups, | |||
| mdl_chem_groups, | |||
| ref_mdl_alns, | |||
contact_d = 12.0, |
|||
steep_opt_rate = None, |
|||
greedy_prune_contact_map = False |
|||
| ) |
Greedy extension of already existing but incomplete chain mappings
Reimplemented from QSScorer.
Definition at line 2780 of file chain_mapping.py.
Member Function Documentation
◆ _SteepOpt()
|
protected |
Definition at line 2961 of file chain_mapping.py.
◆ ExtendMapping()
| ExtendMapping | ( | self, | |
| mapping, | |||
max_ext = None |
|||
| ) |
Definition at line 2854 of file chain_mapping.py.
◆ SCCounts()
| SCCounts | ( | self, | |
| ref_ch, | |||
| mdl_ch | |||
| ) |
Definition at line 2839 of file chain_mapping.py.
Field Documentation
◆ mdl
| mdl |
Definition at line 2788 of file chain_mapping.py.
◆ mdl_ch_group_mapper
| mdl_ch_group_mapper |
Definition at line 2821 of file chain_mapping.py.
◆ mdl_chem_groups
| mdl_chem_groups |
Definition at line 2819 of file chain_mapping.py.
◆ mdl_neighbors
| mdl_neighbors |
Definition at line 2799 of file chain_mapping.py.
◆ neighbors
| neighbors |
Definition at line 2793 of file chain_mapping.py.
◆ ref
| ref |
Definition at line 2787 of file chain_mapping.py.
◆ ref_ch_group_mapper
| ref_ch_group_mapper |
Definition at line 2820 of file chain_mapping.py.
◆ ref_chem_groups
| ref_chem_groups |
Definition at line 2818 of file chain_mapping.py.
◆ ref_mdl_alns
| ref_mdl_alns |
Definition at line 2789 of file chain_mapping.py.
◆ single_chain_cache
| single_chain_cache |
Definition at line 2833 of file chain_mapping.py.
◆ single_chain_scorer
| single_chain_scorer |
Definition at line 2832 of file chain_mapping.py.
◆ steep_opt_rate
| steep_opt_rate |
Definition at line 2790 of file chain_mapping.py.
The documentation for this class was generated from the following file:
- build-dev/stage/lib/python3.11/site-packages/ost/mol/alg/chain_mapping.py
