An expansion for RDKit to read all types of files in one line

Overview

RDMolReader

An expansion for RDKit to read all types of files in one line

How to use?

Add this single .py file to your project and import MolFromFile() from this file.

input: molecule file name

output: a list of molecules (always returns a list, even if you have one molecule)

example:

from RDMolReader import MolFromFile
mol_list = MolFromFile('mymol.mol')  # this returns a list with length 1
mols_list = MolFromFile('mymols.sdf')  # this returns a list of molecules from mymols.sdf file
Owner
Ali Khodabandehlou
As a pharmacist who adores programming, I'm trying to integrate digital life to my field....
Ali Khodabandehlou
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