-
- Downloads
"README.md" did not exist on "fd1eba91a82c9681e8d7c3a988f83c412c0c606b"
delegate the internal energy calculation to the rotamer constructors
The idea is to decouple the rotamer groups from this burden if there are different methodologies. They therefore only have a setter for the internal energy.
Showing
- sidechain/pymod/_reconstruct_sidechains.py 0 additions, 1 deletionsidechain/pymod/_reconstruct_sidechains.py
- sidechain/pymod/export_rotamer.cc 19 additions, 9 deletionssidechain/pymod/export_rotamer.cc
- sidechain/pymod/export_scwrl_rotamer_constructor.cc 12 additions, 0 deletionssidechain/pymod/export_scwrl_rotamer_constructor.cc
- sidechain/src/rotamer.cc 0 additions, 9 deletionssidechain/src/rotamer.cc
- sidechain/src/rotamer.hh 16 additions, 30 deletionssidechain/src/rotamer.hh
- sidechain/src/rotamer_group.cc 0 additions, 18 deletionssidechain/src/rotamer_group.cc
- sidechain/src/rotamer_group.hh 0 additions, 4 deletionssidechain/src/rotamer_group.hh
- sidechain/src/scwrl_rotamer_constructor.cc 24 additions, 0 deletionssidechain/src/scwrl_rotamer_constructor.cc
- sidechain/src/scwrl_rotamer_constructor.hh 5 additions, 0 deletionssidechain/src/scwrl_rotamer_constructor.hh
- sidechain/src/sidechain_env_listener.hh 2 additions, 2 deletionssidechain/src/sidechain_env_listener.hh
Loading
Please register or sign in to comment