prepare_protein_structure: prepare_protein_structure

In jfores/DocTDA: What the Package Does (One Line, Title Case)

prepare_protein_structure

Description

prepares protein structures for docking.

Usage

prepare_protein_structure(
  x,
 
    path_to_prepare_receptor = "/home/antoniojr/anaconda3/envs/py36/MGLToolsPckgs/AutoDockTools/Utilities24/prepare_receptor4.py",
  out_dir
)

Arguments

x	paht to docking structure.
path_to_prepare_receptor	absolute path to prepare_receptor4.py script
out_dir	path to the directory where the output must be saved.

Examples

## Not run: 
prepare_protein_structure(x,path_to_prepare_receptor,out_dir)

## End(Not run)

jfores/DocTDA documentation built on March 19, 2022, 9:37 p.m.