PyRosetta Core中文教程,本教程由浅入深,讲解Rosetta的基本原理以及在PyRosetta中的应用实例。
贡献者:吴炜坤
大纲内容:
零、安装与入门介绍
0.1 Python_Basic
0.2 Utils
一、Pose与Structure IO
1.1 Pose IO
1.2 PymolMover
1.3 Pose & PDBinfo
1.4 Atom & Residue
1.5 Conformation & Protein Geometry
1.6 Pose Operation
二、Energy Function
施工中🚧
三、Kinematics & Monte Carlo
3.0 FoldTree
3.1 Folding & Fragment
3.2 Monte Carlo
四、Residue Selector
五、Refinement
5.1 Small & Shear Mover*(讲Mover)
5.2 MinMover & MoveMap
5.3 Repeat & Sequence Mover
六、Design & TaskOP
6.1 Rotamer
6.2 Repack & Design
6.3 TaskOP
六、Filters
规划中
七、SimpleMetric
规划中
八、Symmetry
规划中
九、xmlObject & RosettaScript
规划中
十、MPI with PyRosetta
规划中
十一、专题:
- Protein Docking
- Loop Modelling
- Antibody Modelling
- Denovo Design
- trRosetta