P
ython-based
H
ierarchical
EN
vironment for
I
ntegrated
X
tallography
QI Tautamers
Contents
Authors
Introduction
Literature
Authors
Nigel W. Moriarty
Introduction
Calculating
Literature
In situ ligand restraints from quantum-mechanical methods.
D. Liebschner, N.W. Moriarty, B.K. Poon, and P.D. Adams.
Acta Cryst.
D
79
, 100-110 (2023)
.
Python-based
Hierarchical
ENvironment
for
Integrated
Xtallography