Skip to content

Ali-Khodabandehlou/RDMolReader

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

2 Commits
 
 
 
 
 
 
 
 

Repository files navigation

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

About

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

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages