Ambit-SLN

Ambit-SLN is a software library to process chemical objects using SYBYL Line Notation and a part of AMBIT project and based on the Chemistry Development Kit. The Ambit-SLN algorithm contains a parser for the full SLN syntax, support for macro and Markush atoms, global and local dictionaries, and user-defined properties. And in addition, functionalities for substructure matching and utilities for conversion of SLN objects to other chemical formats.

Topic

Cheminformatics;Metabolomics;Protein structure analysis;Enzymes

Detail

  • Operation: Modeling and simulation

  • Software interface: Command-line user interface

  • Language: Java

  • License: GNU Lesser General Public License 2.1

  • Cost: Free

  • Version name: Release: 3.1.0, development: 3.2.0

  • Credit: -

  • Input: -

  • Output: -

  • Contact: -

  • Collection: AMBIT

  • Maturity: -

Publications

  • Ambit-SLN: an Open Source Software Library for Processing of Chemical Objects via SLN Linear Notation
  • Kochev N, Jeliazkova N, Tancheva G. Ambit-SLN: an Open Source Software Library for Processing of Chemical Objects via SLN Linear Notation. Mol Inform. 2021 Nov;40(11):e2100027. doi: 10.1002/minf.202100027. Epub 2021 Aug 3. PMID: 34342942.
  • https://doi.org/10.1002/minf.202100027
  • PMID: 34342942
  • PMC: -

Download and documentation

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