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Ruby GEM for RDKit (cheminformatics toolkits)
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README.md

rdkit-chem gem

GEM for RDKIT, an Open-Source Cheminformatics Software

Environment

Prerequisites

  • cmake 3.8 or later
  • curl
  • tar, sed, make (those should be present anyway)
  • SWIG 2 or later
  • python header (python-dev)
  • sqlite (sqlite3-dev)
  • boost > 1.58 (libboost-all-dev)

Install

gem install openbabel

It downloads the sources, compiles and installs RDKIT with the ruby bindings. The installation may last very long - please be patient.

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