pylipid.api.LipidInteraction.write_site_info

LipidInteraction.write_site_info(sort_residue='Residence Time', save_dir=None, fn=None)[source]

Write a report on binding site with lipid interaction information.

This method writes a report of binding site information in a txt file. This report includes, for each binding site, the various interaction data and properties of the binding site, followed by a table of comprising residues and the interaction data of these residues. This table is sorted in an order determined by the item provided by sort_residue. This report provides a quick and formatted view of the binding site information.

By default, the report is saved in the root directory defined when the class LipidInteraction was initiated. It can be changed by providing to path to save_dir.

By default, the report is saved with a filename of BindingSites_Info_{lipid}.txt. It can be changed via the parameter fn.

Parameters

  • sort_residue ({"Residence Time", "Duration", "Occupancy", "Lipid Count"}, default="Residence Time") – The item used for sorting the binding site residues.

  • save_dir (str, default=None) – The directory for saving the report. By default the report is saved in the root directory defined when LipidInteraction was initialized.

  • fn (str, default=None) – The filename of the report. By default the report is saved with the name BindingSites_Info_{lipid}.txt