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Published September 27, 2022 | Version 2022.9.27
Software Open

molssi-seamm/molsystem: Improved handling of properties

Creators

  • 1. The Molecular Sciences Software Institute (@MolSSI)
  • 2. University of Notre Dame

Description

Added ability to transfer properties between the internal SEAMM database and OpenBabel. This supports using OpenBabel to e.g. read and write SDF files that contain property data.

Files

molssi-seamm/molsystem-2022.9.27.zip

Files (346.8 kB)

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md5:8c429d9e4f8d389cd0a0b47467406a4c
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Additional details

Related works

Is supplement to
https://github.com/molssi-seamm/molsystem/tree/2022.9.27 (URL)