The original database was one monolithic table. This posed several problems including:
The same acceptor or donor details might be repeated multiple times for different salt bridges.
If you need to add more attributes to either the acceptor or donor in the future, it could clutter the single table.
more complex WHERE clauses
The team has improved the existing database structure from a single table to a multi-table database
Avoids Data Duplication - By separating the acceptor and donor data into their respective tables, you avoid repeating the same data in the SaltBridge table.
Data Integrity - if an acceptor's details change, you only need to update it in one place, and all related salt bridges will automatically reflect the change.
Flexibility - If you need to add more attributes to the acceptor or donor in the future, you can do so without affecting the SaltBridge table.
Efficient Queries - For operations that only concern donors or acceptors, you can query the respective table directly without having to deal with the additional data from the SaltBridge table.
The team has successfully added data to the database by updating the python script included with this project
Consists of the following five fields:
Acceptor_id
Acceptor_chain_type
Acceptor_type
Charge
Acc_id
Consists of the following five fields:
Donor_id
Donor_chain_type
Donor_type
Charge
Don_id
Consists of the following eight fields:
Bridge_id
Don_id
Acc_id
Avg_distance
Max_distance
Min_distance
Time_frame_for_mn_dist
Time_frame_for_max_dist