Go to the pharmisa_download and download the content of the "R package installation" folder. Follow the Guia.txt for the installation of R and the packages that pharmisa will use.
pharmisa [PATH TO THE RECEPTOR] [PATH TO THE LIGAND] [OPTIONS]
To perform only a processing of pharmit results:
pharmisa --process [PATH TO THE FOLDER] [OPTIONS]
-r, --rmsd
: RMSD limit for filtering results. Default = 20.0--score
: Score limit for filtering results. Default = -9.0-p, --pharma
: This option activates a menu to select pharmacophores interactively-s, --session
: If you want to run a session already done in pharmit.--plip_csv
: PLIP csv file for pharmacophoric search optimized by the database.--slow
: Performs the search in two parts to reduce memory load.--process
: Only processes the results of a folder, without having to go back to pharmit.- '--only_admet': Only run the admet analysis on a file with a list of SMILES.
-o, --output
: Name of the final folder that will contain the results. If absent, the program will create a random name for the folder.--help
: Shows the help message.