Inherits BBlDDTScorer.
Public Member Functions | |
| __init__ (self, ref, mdl, ref_chem_groups, mdl_chem_groups, ref_mdl_alns, inclusion_radius=15.0, thresholds=[0.5, 1.0, 2.0, 4.0], steep_opt_rate=None) | |
| ExtendMapping (self, mapping, max_ext=None) | |
 Public Member Functions inherited from BBlDDTScorer | |
| trg (self) | |
| mdl (self) | |
| alns (self) | |
| chem_groups (self) | |
| Score (self, mapping, check=True) | |
| FromFlatMapping (self, flat_mapping) | |
Data Fields | |
| mdl_chem_groups | |
| steep_opt_rate | |
| neighbors | |
| ref_chem_groups | |
| ref_ch_group_mapper | |
| mdl_ch_group_mapper | |
| mdl_neighbors | |
| Data Fields inherited from BBlDDTScorer | |
| chem_groups | |
Protected Member Functions | |
| _SteepOpt (self, mapping, chains_to_optimize=None) | |
| Protected Member Functions inherited from BBlDDTScorer | |
| _NSCConserved (self, trg_ch, mdl_ch) | |
| _NPairConserved (self, trg_int, mdl_int) | |
| _IndexMapping (self, ch1, ch2) | |
Additional Inherited Members | |
| Static Public Member Functions inherited from BBlDDTScorer | |
| FromMappingResult (mapping_result, dist_thresh=15.0, dist_diff_thresholds=[0.5, 1.0, 2.0, 4.0]) | |
| Protected Attributes inherited from BBlDDTScorer | |
| _trg | |
| _chem_groups | |
| _mdl | |
| _alns | |
| _dist_diff_thresholds | |
| _dist_thresh | |
| _pairwise_cache | |
| _sc_cache | |
Detailed Description
Definition at line 2432 of file chain_mapping.py.
Constructor & Destructor Documentation
◆ __init__()
| __init__ | ( | self, | |
| ref, | |||
| mdl, | |||
| ref_chem_groups, | |||
| mdl_chem_groups, | |||
| ref_mdl_alns, | |||
inclusion_radius = 15.0, |
|||
thresholds = [0.5, 1.0, 2.0, 4.0], |
|||
steep_opt_rate = None |
|||
| ) |
Greedy extension of already existing but incomplete chain mappings
Reimplemented from BBlDDTScorer.
Definition at line 2433 of file chain_mapping.py.
Member Function Documentation
◆ _SteepOpt()
|
protected |
Definition at line 2558 of file chain_mapping.py.
◆ ExtendMapping()
| ExtendMapping | ( | self, | |
| mapping, | |||
max_ext = None |
|||
| ) |
Definition at line 2471 of file chain_mapping.py.
Field Documentation
◆ mdl_ch_group_mapper
| mdl_ch_group_mapper |
Definition at line 2456 of file chain_mapping.py.
◆ mdl_chem_groups
| mdl_chem_groups |
Definition at line 2444 of file chain_mapping.py.
◆ mdl_neighbors
| mdl_neighbors |
Definition at line 2466 of file chain_mapping.py.
◆ neighbors
| neighbors |
Definition at line 2447 of file chain_mapping.py.
◆ ref_ch_group_mapper
| ref_ch_group_mapper |
Definition at line 2455 of file chain_mapping.py.
◆ ref_chem_groups
| ref_chem_groups |
Definition at line 2453 of file chain_mapping.py.
◆ steep_opt_rate
| steep_opt_rate |
Definition at line 2445 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
