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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:

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2
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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

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:

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