pygtop.pdb (RSCB PDB Interface)

Functions for interacting with the RSCB PDB web services.

pygtop.pdb.query_rcsb(query_type, criteria)[source]

Queries the RSCB PDB web services with a simple GET request.

Parameters:
  • query_type (str) – The type of query to make
  • criteria (str) – The criteria for this query
Return type:

ElementTree XML element

pygtop.pdb.query_rcsb_advanced(query_type, criteria)[source]

Queries the RSCB PDB web services as an advanced search with a POST request.

Parameters:
  • query_type (str) – The type of query to make
  • criteria (str) – The criteria for this query
Returns:

list of str PDB codes

pygtop.pdb.ask_about_molecupy(func)[source]

A decorator which, when applied to a function, will add a ‘as_molecupy’ keyword argument - if set to True this will convert any PDB codes the function returns to molecuPy PDB objects.