AMBIT

For an overview of AMBIT, end-user applications and web services, please consult ambit.sourceforge.net

AMBIT modules

AMBIT SMARTS & SMIRKS

This module includes support for SMARTS parsing and querying, and an implementation of SMIRKS Reaction Transform Language.

Code examples

SMARTS

AMBIT-SMARTS is a Java library built on top of The Chemistry Development Kit. The AMBIT-SMARTS parser implements the entire SMARTS language specification with several syntax extensions that enable support for custom modifications introduced by third party software packages such as OpenEye, MOE and OpenBabel. The goal of yet another open-source SMARTS parser implementation is to achieve better performance and compatibility with multiple existing flavours of the SMARTS language, as well as to provide utilities for running efficient SMARTS queries in large structural databases.

Used by

Code examples

SMIRKS

Maven artifacts

ambit2-smarts all versions

Artifacts

<dependency>
  <groupId>ambit</groupId>
  <artifactId>ambit2-smarts</artifactId>
  <version>2.4.2</version>
</dependency>

Release repository

   <repository>
        <id>ambit-plovdiv-releases</id>
        <url>http://ambit.uni-plovdiv.bg:8083/nexus/content/repositories/releases</url>
    </repository>

Snapshots repository

   <repository>
        <id>ambit-plovdiv-snapshots</id>
        <url>http://ambit.uni-plovdiv.bg:8083/nexus/content/repositories/snapshots</url>
    </repository>