get_sdf: Get sdf file from PubChem and conversion of the sdf in Atom...

Description Usage Arguments Value

Description

Connection tu PubChem to download the sdf file

Usage

1
get_sdf(DrugInfo_list, result_folder)

Arguments

DrugInfo_list

list containing the drug information contained in configuration file

result_folder

character folder name that will be contained all output files (see makeResultsDirectory function)

Value

DrugInfo_list the input list will be updated adding the Atom pair descriptor in APsdf key


Elisa89m/PDSP documentation built on May 30, 2019, 1:26 p.m.