View source: R/Docking_Functions.R
compute_by_square | R Documentation |
Performs docking completing a rectangle.
compute_by_square( bio_assay_pdbqt, drug_pdbqt_paths, output_path, bio_assay_paths, exhaust = 40, save_control_matrix_path, verbose = TRUE )
bio_assay_pdbqt |
vector with the absolute paths to the pdbqt files of the proteic structures we want to dock. |
drug_pdbqt_paths |
vector with the absolute paths to the drug pdbqt files. |
output_path |
string indicating the folder where docking data should be stored. |
bio_assay_paths |
Vector indicating the absolute paths to the pdb files for the protein structures. |
exhaust |
Exhaustiveness parameter for vina. |
verbose |
Logical value. Print information or not. |
path_save_control_matrix_path |
Path where the control matrix will be sotored or has been saved previouly. |
## Not run: compute_by_square(bio_assay_pdbqt,drug_pdbqt_paths,output_path,bio_assay_paths,exhaust = 40,path_save_control_matrix_path,verbose = TRUE) ## End(Not run)
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