The NRGTEN Python package: an extensible toolkit for coarse-grained normal mode analysis of proteins, nucleic acids, small molecules and their complexes.
- Resource Type
- Academic Journal
- Authors
- Mailhot O; Department of Pharmacology and Physiology, Faculty of Medicine, Université de Montréal, Montreal, QC H3T 1J4, Canada.; Institute for Research in Immunology and Cancer (IRIC), Faculty of Medicine, Université de Montréal, Montreal, QC H3T 1J4, Canada.; Najmanovich R; Department of Pharmacology and Physiology, Faculty of Medicine, Université de Montréal, Montreal, QC H3T 1J4, Canada.
- Source
- Publisher: Oxford University Press Country of Publication: England NLM ID: 9808944 Publication Model: Print Cited Medium: Internet ISSN: 1367-4811 (Electronic) Linking ISSN: 13674803 NLM ISO Abbreviation: Bioinformatics Subsets: PubMed not MEDLINE; MEDLINE
- Subject
- Language
- English
Summary: The Najmanovich Research Group Toolkit for Elastic Networks (NRGTEN) is a Python toolkit that implements four different NMA models in addition to popular and novel metrics to benchmark and measure properties from these models. Furthermore, the toolkit is available as a public Python package and is easily extensible for the development or implementation of additional normal mode analysis models. The inclusion of the Elastic Network Contact Model developed in our group within NRGTEN is noteworthy, owing to its account for the specific chemical nature of atomic interactions.
Availability and Implementation: https://github.com/gregorpatof/nrgten_package/.
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