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lamoureux-lab / TorchProteinLibrary

PyTorch library of layers acting on protein representations
https://lamoureux-lab.github.io/TorchProteinLibrary/
MIT License
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Angles2Coords amino-acid parameters and construction #19

Open lupoglaz opened 5 years ago

lupoglaz commented 5 years ago

We need to refactor Angles2Coords, namely cConformation and cRigidBody classes, such that:

  1. Chemical parameters are defined in one place and can be easily modified
  2. Make Amino-acid construction code less redundant using macroses or templates.
lupoglaz commented 5 years ago

Amino-acid construction with macros bdea1633d5014d7c59b15abbc682e179281ad874

lupoglaz commented 5 years ago

One atom does not correspond to PeptideBuilder in UnitTest 0693e2d48ec97d8d31aef42e1c56b16dc42faebe