The HELM toolkit contains the basic calculations and parsers required to use HELM. Other tools can then be built using the toolkit as a foundation.
We have updated the toolkit so it now includes the ability to parse and use the ambiguity definition and we have created a new API which allows you to add the chemistry engine of your choice. We have implemented two chemistry engines: CDK and MarvinBeans, but you can add your own. If you do, please consider donating the code back to the project so others can benefit.
HELM Toolkit v1.x
The HELM editor and HAbE are designed to work with the HELM toolkit v 1.x, so we are keeping this in place until we replace both with web-based versions.
Source code - https://github.com/PistoiaHELM/HELMNotationToolkit
Release Notes and API Specification - http://pistoiahelm.github.io/HELM_Notation_Toolkit_Release_Notes.html
HELM Toolkit v2.0
The new version that adds ambiguity support. We recommend you use this for new applications.
V2.0 Source code - https://github.com/PistoiaHELM/HELM2NotationToolkit
Public Maven repository for components https://oss.sonatype.org/#nexus-search;quick~org.pistoiaalliance.helm.
A ‘getting started’ guide is available:
Web service documentation
For a full technical description of RESTful web-services, see this document.
Technical presentation on HELM Toolkit V2.0
Slides
Validation Tool
A basic UI has been developed which allows the user to convert HELM1 to HELM2 or JSON. This has the side-effect of providing a validation tool, since if the input HELM is not valid, it will not be converted.
- The jar file is available at https://github.com/PistoiaHELM/HELMNotationParser/releases/tag/1.0.0
- Download and run and it should just work.
Licenses and restrictions
HELM is an open source project released under the MIT license. However it currently has some dependencies on third party tools.
HELM toolkit v1.1 requires MarvinBeans version 5.0 or higher from ChemAxon. A copy of the required library (MarvinBeans-5.0.jar) is included for your convenience. ChemAxon has graciously agreed to provide a royalty-free license for the utilization of MarvinBeans directly through the HELM editor and notation toolkit (specifically for operations pertaining to the chemical representation of HELM monomers and macromolecules.) Please contact Cassell Essell (cessell@chemaxon.com) to obtain this license. Utilization of the MarvinBeans library outside of the aforementioned scope and beyond a trial basis requires the procurement of a regular MarvinBeans license.
As this is an open source project you are at liberty to replace MarvinBeans 5.0 with your preferred tool. If you do this, please consider donating the modified code base back to the project.