Cargando…
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...
| Autores principales: | , , , , |
|---|---|
| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2011
|
| Materias: | |
| 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 |