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Releases: nostrumbiodiscovery/PPP

PPP 1.0.10 Release

30 Jul 15:56
d128b9d
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Fix other problems with SEP.

PPP 1.0.9 Release

27 Jul 10:03
50b0c3d
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Added SEP to list of standard residues.

PPP 1.0.8 Release

16 Jun 08:29
7e5c948
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Copied supported_aminoacids to prevent modifications during tests

PPP 1.0.7 Release

05 Jun 14:44
960bde9
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Added support for PTR

PPP v1.0.6

28 Mar 11:09
4673342
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List of changes:

  • New ca_interval flag added to main
  • Fix arginine atom name bug

v.1.0.5

22 Sep 13:13
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v 1.0.5

  • Include arginine atom mapping between schrodinger and PELE

v.1.0.4

19 Mar 00:26
7f22861
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v1.0.4

  • Fix bug on the first CA constraint

v1.0.3

18 Mar 14:53
47f71c4
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v1.0.3

  • Fix bug when working with dimer

  • Refactor contraints.py

v.1.0.2

18 Mar 14:52
33dfecb
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v1.0.2

  • Set constraints on core atom via smiles

v1.0.1

04 Feb 14:00
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v1.0.1

Initial Release of Protein Preparation PELE.

  • Fix Histindines
  • Fix cysteines
  • Fix Gaps
  • Fix atomnames
  • Provide PELE constraints