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Check for feasible bond lengths when building peptide bonds in RawModels
There is no guarantee, that we have a stereochemically valid template. If no feasible peptide bond can be built, a gap is added in order to properly deal with the problem at the loop modelling stage.
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- modelling/src/model.cc 13 additions, 10 deletionsmodelling/src/model.cc
- modelling/tests/CMakeLists.txt 1 addition, 0 deletionsmodelling/tests/CMakeLists.txt
- modelling/tests/data/gly_shifted_nter.pdb 81 additions, 0 deletionsmodelling/tests/data/gly_shifted_nter.pdb
- modelling/tests/test_modelling.py 14 additions, 0 deletionsmodelling/tests/test_modelling.py
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