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mdstudio/lie_structures

By mdstudio

•Updated about 7 years ago

MDStudio molecular manipulation toolset

Image
0

963

mdstudio/lie_structures repository overview

⁠MDStudio_structures

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Configuration settings

Molecular structure based microservice for the MDStudio workflow environment. This service combines the functionality of 9 popular cheminformatics packages through a common interface using Cinfony⁠:

  • webel
  • silverwebel
  • OpenBabel
  • CDK
  • RDkit
  • Opsin
  • Indigo
  • JChem
  • PyDPI

Tag summary

Content type

Image

Digest

Size

869.2 MB

Last updated

about 7 years ago

docker pull mdstudio/lie_structures:0.0.4