DeepRank / pdb2sql

Fast and versatile biomolecular structure PDB file parser using SQL queries
https://pdb2sql.readthedocs.io
Apache License 2.0
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[WIP] Many2SQL #46

Closed NicoRenaud closed 4 years ago

NicoRenaud commented 4 years ago

Added a many2sql class that allows to have multiple pdb files in the same database under different tables. Using this we can easily obtain the intersection between the different tables, i.e. extract the common part of the different structures contained in the database.

Many changes happened under pdb2sql so that we can easily use it as a super class for many2pdb

The superpose function now checks that the selection have identical length and if they don't use a many2sql to get the intersection between the two structures.