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@alejandrosantanabonilla alejandrosantanabonilla released this 27 Jun 09:12
· 181 commits to main since this release
v0.5.0
2a6d49b

Openbabel has been integrated into PySoftK offering the following new functions:

  1. New functions to check bonds for an user-provided file employing perceive_bonds and connecting_dots.
  2. New FF through a wrap with openbabel.
  3. All openbabel formats are available, widening and easing the format conversion process.
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