Confab - Systematic generation of diverse low-energy conformers

BACKGROUND: 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 to a diversity criterion. RESULTS: Confab generates co...

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Detalles Bibliográficos
Autores principales: O'Boyle, Noel M, Vandermeersch, Tim, Flynn, Christopher J, Maguire, Anita R, Hutchison, Geoffrey R
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2011
Materias:
Software
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3073927/
https://www.ncbi.nlm.nih.gov/pubmed/21410983
http://dx.doi.org/10.1186/1758-2946-3-8

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3073927/
https://www.ncbi.nlm.nih.gov/pubmed/21410983
http://dx.doi.org/10.1186/1758-2946-3-8

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