fragalysis.widgets.ligand_cif

Module Contents

Functions

ligand_cif

UI for downloading targets from fragalysis

_cif_ui_1

Create widgets to create a ligand CIF file

_cif_ui_2

widgets to request target download

_cif_ui_3

create_cif

API

fragalysis.widgets.ligand_cif.ligand_cif()

UI for downloading targets from fragalysis

fragalysis.widgets.ligand_cif._cif_ui_1()

Create widgets to create a ligand CIF file

fragalysis.widgets.ligand_cif._cif_ui_2(ui_main, dir: str = '.')

widgets to request target download

fragalysis.widgets.ligand_cif._cif_ui_3(ui_main, pdb: pathlib.Path, output)
fragalysis.widgets.ligand_cif.create_cif(cif: pathlib.Path, smiles: str, res)