How to use this box with Vagrant:

Vagrant.configure("2") do |config|
  config.vm.box = "nlesc/3d-e-chem"
  config.vm.box_version = "1.4.0"
end
vagrant init nlesc/3d-e-chem \
  --box-version 1.4.0
vagrant up

This version was created over 1 year ago.

Virtual machine with all software and sample data to run 3D-e-Chem KNIME workflows.

Based on Chemical Analytics Platform v0.8.4

Changed

  • Upgraded KripoDB to v2.2.1
  • Upgraded Virtualbox Guest Additions to v5.1.16
  • Upgraded RDKit to 2016_09_4
  • Upgraded KNIME to v3.3.1
  • Erlwood nodes are now part of KNIME distro

Removed

  • KripoDB PDB dataset, use web service to get latest dataset
1 provider for this version.
  • virtualbox Hosted by Vagrant Cloud (5.52 GB)