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A Toolkit to Enable Hydrocarbon Conversion in Aqueous Environments
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HELM Software for Biopolymers.

Jeff Milton1, Tianhong Zhang2, Claire Bellamy3

  • 1Ionis Pharmaceuticals, Inc , 2855 Gazelle Court, Carlsbad, California 92010, United States.

Journal of Chemical Information and Modeling
|May 5, 2017
PubMed
Summary
This summary is machine-generated.

The Hierarchical Editing Language for Macromolecules (HELM) v2.0 offers a standardized notation for biopolymer structures. This update includes new software and a simpler system for managing complex molecular data.

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Area of Science:

  • Biochemistry
  • Bioinformatics
  • Computational Chemistry

Background:

  • Biopolymer structure representation is crucial for data exchange and management.
  • Existing notations may lack specificity or comprehensive support for complex biomolecules.
  • The Pistoia Alliance aims to standardize chemical and biopharmaceutical data formats.

Purpose of the Study:

  • To introduce the Hierarchical Editing Language for Macromolecules (HELM) version 2.0 specification.
  • To describe the supporting software ecosystem for HELM-based structure management.
  • To present novel open-source tools and simplified deployment strategies for HELM.

Main Methods:

  • Detailed description of the HELM v2.0 notation syntax and features.
  • Overview of the HELM software ecosystem, including databases and applications.
  • Demonstration of a new open-source monomer database and deployment approach.

Main Results:

  • HELM v2.0 provides an enhanced molecular line notation for biopolymers.
  • A comprehensive software suite supports HELM data management.
  • New open-source tools simplify the handling of complex macromolecular structures.

Conclusions:

  • HELM v2.0 advances biopolymer communication and management.
  • The HELM ecosystem facilitates broader adoption and application of standardized notation.
  • Simplified tools enhance accessibility for complex molecular data systems.