Requirements and packaging

    Requirements

    Docker

    Version: min 19.03.14

    Description: ChemLocator has 2 Docker images that are mandatory:

    • Application: dotnet core implementation
      • Security (at least one option must be chosen):
        • LDAP: use own ldap or any OpenLDAP server (e.g.Osixia OpenLDAP Docker image)
        • Azure AD: connect using Azure AD accounts by registering ChemLocator on the company Azure portal.
        • Synergy: connect using Chemaxon Pass.
    • Chemical backend: Java JChem.

    JChem PostgreSQL Cartridge

    Version: 20.15.0

    ElasticSearch

    Version: 7.10.0

    Optional

    OSR

    • CLiDE - ChemLocator offers pre-packed Docker images of CLiDE with our chemical backend. This functionality requires a CLiDE Linux Batch license purchased separately.
    • OSRA - This OSR tool does not require any additional purchase, but due to license limitations we are not allowed to offer a pre-built Docker image. However, we offer a Dockerfile that will allow you to build OSRA to our chemical backend and use it with ChemLocator.

    SciBite TERMite

    Version: 6.4.60 14

    Additional information about SciBite TERMite can be found here.

    Packaging

    The main ChemLocator application is packaged in two Docker images downloadable from https://hub.chemaxon.com:

    Example for version 3.3.0.0:
docker pull hub.chemaxon.com/cxn-docker-release/chemlocator:3.3.0.0
docker pull hub.chemaxon.com/cxn-docker-release/chemlocator-java:3.3.0.0
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    JChem PostgreSQL Cartridge can be installed directly over an existing PostgreSQL installation (a detailed guide can be found here).

    For convenience we offer a Docker image of JPC:

    Example for version 3.3.0.0:
docker pull hub.chemaxon.com/cxn-docker-release/jpc-chemlocator:20.15.0.r12003
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