steeveslab-blog

Ipython notebook

Tag: MMFF

2015

Force-field optimization of molecules in RDKit

Jan 12 2015

posted in IPython notebook

Recent Posts

Force-field optimization of molecules in RDKit

Categories

IPython notebook

Tags

list comprehension, rdkit, substructure, python, MMFF, optimization, lists, blogging, merging, notebook, matplotlib, combining, PyMOL, editing, conformations, alignment, dihedral

Social

Twitter

Follow @SteevesLab

Copyright © 2015 asteeves — Powered by Pelican