parmed.formats.sdf module

This module contains parsers for sdf file format extension described at https://www.cas.org/content/chemical-suppliers/example-sdf

class parmed.formats.sdf.SDFFile

Bases: object

Class to read SDF file

Methods

id_format(filename)

Identify the file as a SDF file format or not

parse

static id_format(filename)

Identify the file as a SDF file format or not

Parameters

filenamestr

Name of the file to test whether or not it is a sdf file

Returns

is_fmtbool

True if it is a sdf file, False otherwise

static parse(filename, structure=False)