deepfold.relaxΒΆ
Modules
Restrained Amber Minimization of a structure. |
|
Cleans up a PDB file using pdbfixer in preparation for OpenMM simulations. |
|
Amber relaxation. |
|
Utils for minimization. |
Modules
Restrained Amber Minimization of a structure. |
|
Cleans up a PDB file using pdbfixer in preparation for OpenMM simulations. |
|
Amber relaxation. |
|
Utils for minimization. |