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Modular "modeller" sub-package #3

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fsimkovic opened this issue Mar 17, 2017 · 0 comments
Open
4 tasks

Modular "modeller" sub-package #3

fsimkovic opened this issue Mar 17, 2017 · 0 comments
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enhancement

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@fsimkovic
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fsimkovic commented Mar 17, 2017 •
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The idea of having one subpackage for all modelling related work. This should probably include modules for various fragment picking and ab initio folding software with necessary functions to link them.

Features to include

  • Script to execute ab initio modelling separately
  • Support of Rosetta and Saint2
  • Support of NNmake and Flib
  • Basic model assessment (ranking of models based on energy scores, etc.)
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