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Releases: nostrumbiodiscovery/PPP

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PPP 1.0.10 Release

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@martimunicoy martimunicoy released this 30 Jul 15:56
1.0.10
d128b9d
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Fix other problems with SEP.

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PPP 1.0.9 Release

PPP 1.0.9 Release

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@martimunicoy martimunicoy released this 27 Jul 10:03
1.0.9
50b0c3d
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Added SEP to list of standard residues.

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PPP 1.0.8 Release

PPP 1.0.8 Release

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@martimunicoy martimunicoy released this 16 Jun 08:29
1.0.8
7e5c948
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Copied supported_aminoacids to prevent modifications during tests

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PPP 1.0.7 Release

PPP 1.0.7 Release

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@martimunicoy martimunicoy released this 05 Jun 14:44
1.0.7
960bde9
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Added support for PTR

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PPP v1.0.6

PPP v1.0.6

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@martimunicoy martimunicoy released this 28 Mar 11:09
1.0.6
4673342
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List of changes:

  • New ca_interval flag added to main
  • Fix arginine atom name bug
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v.1.0.5

v.1.0.5

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@danielSoler93 danielSoler93 released this 22 Sep 13:13
v.1.0.5
a8266a6

v 1.0.5

  • Include arginine atom mapping between schrodinger and PELE
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v.1.0.4

v.1.0.4

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@danielSoler93 danielSoler93 released this 19 Mar 00:26
v1.0.4
7f22861
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v1.0.4

  • Fix bug on the first CA constraint
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v1.0.3

v1.0.3

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@danielSoler93 danielSoler93 released this 18 Mar 14:53
v1.0.3
47f71c4
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v1.0.3

  • Fix bug when working with dimer

  • Refactor contraints.py

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v.1.0.2

v.1.0.2

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@danielSoler93 danielSoler93 released this 18 Mar 14:52
1.0.2
33dfecb
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v1.0.2

  • Set constraints on core atom via smiles
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v1.0.1

v1.0.1

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@nostrumbiodiscovery nostrumbiodiscovery released this 04 Feb 14:00
1.0
e95db11

v1.0.1

Initial Release of Protein Preparation PELE.

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