parallel_drug_prep: parallel_drug_prep

View source: R/Docking_Functions.R

parallel_drug_prepR Documentation

parallel_drug_prep

Description

Function to prepare drug structures for docking.

Usage

parallel_drug_prep(
  x,
 
    path_to_mk_prepare = "/home/antoniojr/anaconda3/envs/py36/scripts/mk_prepare_ligand.py",
  out_dir
)

Arguments

x

Path to sdf drug file.

path_to_mk_prepare

Absolute path to mk_prepare_ligand.py scrii

Examples

## Not run: 
parallel_drug_prep(x,path_to_mk_prepare)

## End(Not run)


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