Lazy Dock
Get start
install
Now, lazydock only support pypi install:
pip install lazydock
Contains
pymol utils - pml
autodock
- autodock: parse autodock results to pdb pose.
interaction
- pymol: calculate interactions between receptor and poses.
- plip: calculate interactions between receptor and poses.
- ligplus: calculate interactions between receptor and poses.
pymol utils
- server: provide a server-client interface to communicate with pymol.
- shader: provide a shader for pymol.
- RRCS
pyroseeta utils - pyrt
- pose: provide a wrapper pose class to opt pose.
web - web-server-tools
- model_eval: evaluate model build result.
- gen_box: generate pocket/gridbox info.
lazydock pymol plugin
command line user
- a script entry named
lazydock-pmlis provided in the python/Scripts folder, will launch the GUI plugin.
pymol user
- install the plugin in pymol manually, in the site-packages/lazydock_pymol_plugin folder.
- it will update automatically when update the package even the plugin is installed.
lazydock-cli
- get_pocket: get pocket info from ProteinPlus.
- ana_interaction: analyze interaction between receptor and poses.
- dock: perform batch molecular docking.
- sort_mol2_bonds: sort mol2 bonds.
- eval_modeling: evaluate modeling result.
- prepare_gmx: prepare gmx files.
- run_gmx: run gmx tasks.
- ana_gmx: analyze Gromacs result, including basic analysis, PLIP, RRCS and so on.