get

pdb2sql.get(columns, tablename='ATOM', **kwargs)

Exectute simple SQL query to extract values.

Parameters:

• columns (str) –

  columns to retreive, eg: “x,y,z”. if “*” all the columns are returned. Avaiable columns:

  serial, name, altLoc, resName, chainID, resSeq, iCode, x, y, z, occ, temp, element, model

• kwargs –

  argument to select atoms, dict value must be list, e.g.:

  • name = [‘CA’, ‘O’]

  • no_name = [‘CA’, ‘C’]

  • chainID = [‘A’]

  • no_chainID = [‘A’]

Returns:

data – list containing the value of the attributes

Examples

>>> db.get('x,y,z', chainID=['A'], no_resName=['ALA', 'TRP'])