Extracting Biounits from PDB header remarks

Biounit (BU) extraction is one of the more basic functionalities offered through the Spruce TK. This example shows how to extract BUs using the PDB header remarks.

Command Line Interface

This example takes in a PDB file, and optionally the maximum number of atoms to be considered a BU as well as a boolean flag to instruct the code to prefer author or software generated headers (see OEExtractBioUnits for details on the API).

prompt> extract_biounits_remarks <extract protein PDB> [max atoms] [prefer author]


Download code

extract_biounits_remarks.cpp and 4re6.pdb (the extraction PDB file)


prompt> extract_biounits_remarks 4re6.pdb

will generate the following output:

Writing biounit 0 to 4re6_BU_0.oeb.gz
Writing biounit 1 to 4re6_BU_1.oeb.gz