Skip to content

Conflicting model scale definitions #88

@aozalevsky

Description

@aozalevsky

The most obvious way to retrieve model scale (atomic/coarse-grained/multiscale (a mix of atomic and coarse-grained)) is from the _ihm_model_representation_details table. However, the scale is also explicitly defined in _ihm_modeling_protocol_details.multi_scale_flag .

It causes a conflict for PDBDEV_00000093:

According to the representation table, the model is purely atomic:

loop_                                                                                                                                                                                                                                                                                                                         
_ihm_model_representation_details.id                                                                                                                                                                                                                                                                                          
_ihm_model_representation_details.representation_id                                                                                                                                                                                                                                                                           
_ihm_model_representation_details.entity_id                                                                                                                                                                                                                                                                                   
_ihm_model_representation_details.entity_description                                                                                                                                                                                                                                                                          
_ihm_model_representation_details.entity_asym_id                                                                                                                                                                                                                                                                              
_ihm_model_representation_details.entity_poly_segment_id                                                                                                                                                                                                                                                                      
_ihm_model_representation_details.model_object_primitive                                                                                                                                                                                                                                                                      
_ihm_model_representation_details.starting_model_id                                                                                                                                                                                                                                                                           
_ihm_model_representation_details.model_mode                                                                                                                                                                                                                                                                                  
_ihm_model_representation_details.model_granularity                                                                                                                                                                                                                                                                           
_ihm_model_representation_details.model_object_count                                                                                                                                                                                                                                                                          
_ihm_model_representation_details.description                                                                                                                                                                                                                                                                                 
1 1 1 'N4BP1 CUE domain' A 1 atomistic 1 rigid by-atom . .                                                                                                                                                                                                                                                                    
2 1 2 'Ubiquitin' B 2 atomistic 2 rigid by-atom . .                                                                                                                                                                                                                                                                           
3 1 1 'N4BP1 CUE domain' A 3 atomistic 1 flexible by-atom . .                                                                                                                                                                                                                                                                 
4 1 1 'N4BP1 CUE domain' A 4 atomistic 1 flexible by-atom . .                                                                                                                                                                                                                                                                 
5 1 1 'N4BP1 CUE domain' A 5 atomistic 1 flexible by-atom . .                                                                                                                                                                                                                                                                 
6 1 2 'Ubiquitin' B 6 atomistic 2 flexible by-atom . .                                                                                                                                                                                                                                                                        
7 1 2 'Ubiquitin' B 7 atomistic 2 flexible by-atom . .                                                                                                                                                                                                                                                                        
8 1 2 'Ubiquitin' B 8 atomistic 2 flexible by-atom . .                                                                                                                                                                                                                                                                        
9 1 2 'Ubiquitin' B 9 atomistic 2 flexible by-atom . .                                                                                                                                                                                                                                                                        
10 1 2 'Ubiquitin' B 10 atomistic 2 flexible by-atom . .                                                                                                                                                                                                                                                                      
11 1 2 'Ubiquitin' B 11 atomistic 2 flexible by-atom . .  

at the same time _ihm_modeling_protocol_details.multi_scale_flag is set to YES.

Thus, on the website it's rendered as 'multiscale' :
multi-scale
)

I think structural model scale should be inferred using only _ihm_model_representation_details. @brindakv @jaredsagendorf what do you think?

Metadata

Metadata

Assignees

No one assigned

    Labels

    questionFurther information is requested

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions