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Releases: nostrumbiodiscovery/PPP

PPP 1.0.10 Release

30 Jul 15:56
@martimunicoy martimunicoy
1.0.10
d128b9d
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PPP 1.0.10 Release Latest
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Fix other problems with SEP.

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PPP 1.0.9 Release

27 Jul 10:03
@martimunicoy martimunicoy
1.0.9
50b0c3d
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PPP 1.0.9 Release

Added SEP to list of standard residues.

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PPP 1.0.8 Release

16 Jun 08:29
@martimunicoy martimunicoy
1.0.8
7e5c948
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PPP 1.0.8 Release

Copied supported_aminoacids to prevent modifications during tests

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PPP 1.0.7 Release

05 Jun 14:44
@martimunicoy martimunicoy
1.0.7
960bde9
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PPP 1.0.7 Release

Added support for PTR

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PPP v1.0.6

28 Mar 11:09
@martimunicoy martimunicoy
1.0.6
4673342
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PPP v1.0.6

List of changes:

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

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

v 1.0.5

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

19 Mar 00:26
@danielSoler93 danielSoler93
v1.0.4
7f22861
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v.1.0.4

v1.0.4

  • Fix bug on the first CA constraint
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v1.0.3

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

v1.0.3

  • Fix bug when working with dimer

  • Refactor contraints.py

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v.1.0.2

18 Mar 14:52
@danielSoler93 danielSoler93
1.0.2
33dfecb
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v.1.0.2

v1.0.2

  • Set constraints on core atom via smiles
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v1.0.1

04 Feb 14:00
@nostrumbiodiscovery nostrumbiodiscovery
1.0
e95db11
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v1.0.1

v1.0.1

Initial Release of Protein Preparation PELE.

  • Fix Histindines
  • Fix cysteines
  • Fix Gaps
  • Fix atomnames
  • Provide PELE constraints
Assets 2
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