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')