group_decomposition
stable

Contents:

  • Installation
  • Tips
  • Fragmentation Usage
  • Creating Molecule Objects
  • File Parsing Tools
  • Molecule Manipulation and Information Tools
  • Querying Functional Groups
  • API
    • group_decomposition.fragfunctions
    • group_decomposition.utils
    • group_decomposition.fg_query
group_decomposition
  • API
  • Edit on GitHub

APIΒΆ

group_decomposition.fragfunctions

fragfunctions module

group_decomposition.utils

utils.py

group_decomposition.fg_query

fg_query module
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© Copyright 2023, Kevin M. Lefrancois-Gagnon and Robert C. Mawhinney. Revision d8db113f.

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