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TUPÃ v1.1.0
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@mdpoleto mdpoleto released this 23 Mar 00:33
· 57 commits to main since this release
v1.1.0
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Learn about vigilant mode.

TUPÃ update (Mar 22 2022):

  • Inclusion of LIST mode: TUPÃ reads a file containing XYZ coordinates that will be used as the probe position. Useful for binding sites or other pockets.
  • Fix documentation issues/typos.

pyTUPÃ update (Mar 22 2022):

  • Support for a 3D representation of electric field standard deviation as a truncated cone that involves the electric field arrow.
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