pdb2sql.align.align

pdb2sql.align.align(pdb, axis='x', export=True, **kwargs)[source]

Align the max principal component of a structure along one of the cartesian axis

Parameters
  • {str (pdb) –

  • complex (pdb2sql} -- the pdbfile or the sql database of the) –

Keyword Arguments
  • (default (axis {str} -- cartesian axis for alignement) – {‘x’})

  • file (export {bool} -- export the aligned structure to) –

  • alignement (**kwargs {dict} -- option to select subpart of the structure for) –

Returns

pd2sql – sql databse of the aligned structure

Example

>>> pdb = '1AK4'
>>> sql = align(pdb,chainID='A')