electronic Ligand Builder and Optimization Workbench (eLBOW): a tool for ligand coordinate and restraint generation

Acta Crystallogr D Biol Crystallogr. 2009 Oct;65(Pt 10):1074-80. doi: 10.1107/S0907444909029436. Epub 2009 Sep 16.


The electronic Ligand Builder and Optimization Workbench (eLBOW) is a program module of the PHENIX suite of computational crystallographic software. It is designed to be a flexible procedure that uses simple and fast quantum-chemical techniques to provide chemically accurate information for novel and known ligands alike. A variety of input formats and options allow the attainment of a number of diverse goals including geometry optimization and generation of restraints.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Computer Simulation
  • Crystallography, X-Ray / methods*
  • Databases, Protein
  • Ligands
  • Protein Binding
  • Proteins / metabolism
  • Software*


  • Ligands
  • Proteins