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generalize SCWRLRotamerConstructor
The problem is that the SCWRLRotamerConstructor is built around the SCWRL4 energy function. The idea is to define the RotamerConstructor as an abstract interface. The SCWRLRotamerConstructor defines that interface and potentially more xyzRotamerConstructors can follow.
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- sidechain/doc/rotamer_constructor.rst 52 additions, 39 deletionssidechain/doc/rotamer_constructor.rst
- sidechain/pymod/CMakeLists.txt 1 addition, 1 deletionsidechain/pymod/CMakeLists.txt
- sidechain/pymod/export_rotamer_constructor.cc 89 additions, 84 deletionssidechain/pymod/export_rotamer_constructor.cc
- sidechain/pymod/wrap_sidechain.cc 2 additions, 2 deletionssidechain/pymod/wrap_sidechain.cc
- sidechain/src/CMakeLists.txt 2 additions, 0 deletionssidechain/src/CMakeLists.txt
- sidechain/src/rotamer_constructor.cc 316 additions, 0 deletionssidechain/src/rotamer_constructor.cc
- sidechain/src/rotamer_constructor.hh 180 additions, 0 deletionssidechain/src/rotamer_constructor.hh
- sidechain/src/scwrl_rotamer_constructor.cc 36 additions, 312 deletionssidechain/src/scwrl_rotamer_constructor.cc
- sidechain/src/scwrl_rotamer_constructor.hh 15 additions, 112 deletionssidechain/src/scwrl_rotamer_constructor.hh
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