Parse File
Introduction
PDB files can be either uploaded, or fetched from the RCSB database. At this stage, non-protein electron transfer active moieties are automatically identified by pyemap, and saved to an emap object which is returned to the user.
Parser
- pyemap.parse(filename, quiet=True)[source]
Parses pdb file and returns emap object.
- Parameters:
filename (str) – Full path to file which needs to be parsed
quiet (bool, optional) – Supresses output when set to true
- Returns:
my_emap – emap object reading for parsing
- Return type:
- pyemap.fetch_and_parse(pdb_id, dest='', quiet=False)[source]
Fetches pdb from database and parses the file.
- Parameters:
pdb_id (str) – RCSB PDB ID
dest (str, optional) – Full path to where file should be saved
quiet (bool, optional) – Supresses output when set to true
- Returns:
emap – emap object ready for processing.
- Return type: