Confab - Systematic generation of diverse low-energy conformers
<p>Abstract</p> <p>Background</p> <p>Many computational chemistry analyses require the generation of conformers, either on-the-fly, or in advance. We present Confab, an open source command-line application for the systematic generation of low-energy conformers according...
Main Authors: | O'Boyle Noel M, Vandermeersch Tim, Flynn Christopher J, Maguire Anita R, Hutchison Geoffrey R |
---|---|
Format: | Article |
Language: | English |
Published: |
BMC
2011-03-01
|
Series: | Journal of Cheminformatics |
Online Access: | http://www.jcheminf.com/content/3/1/8 |
Similar Items
-
O processo de compartilhamento de conhecimento: estudo de caso TenarisConfab
by: Gustavo Buoro
Published: (2005) -
O processo de compartilhamento de conhecimento: estudo de caso TenarisConfab
by: Buoro, Gustavo
Published: (2005) -
Open Babel: An open chemical toolbox
by: O'Boyle Noel M, et al.
Published: (2011-10-01) -
Cinfony – combining Open Source cheminformatics toolkits behind a common interface
by: Hutchison Geoffrey R, et al.
Published: (2008-12-01) -
Bayesian optimization for conformer generation
by: Lucian Chan, et al.
Published: (2019-05-01)