ScreeningJobInputter.cc File Reference

The ScreeningJobInputter The ScreeningJobInputter simplifies the process of inputting and handling input to a vHTS protocol. The ScreeningJobInputter takes in a JSON file using the -in:file:screening_job_file option This file is in the following format: { "jobs" : [ { "group_name" : "group_name_a", "proteins" : ["protein_a.pdb", "protein_b.pdb"], "ligands" : ["ligand_a.pdb", "ligand_b.pdb"] } ] "params : [ "aaa.param", "aab.param". More...

#include <protocols/jd2/ScreeningJobInputter.hh>
#include <protocols/jd2/ScreeningJobInputterCreator.hh>
#include <protocols/jd2/Job.hh>
#include <protocols/jd2/InnerJob.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/pose/Pose.hh>
#include <core/import_pose/import_pose.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <utility/json_spirit/json_spirit_reader.h>
#include <utility/io/izstream.hh>
#include <basic/Tracer.hh>
#include <algorithm>

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::jd2

Functions
static thread_local basic::Tracer	protocols::jd2::TR ("protocols.jd2.ScreeningJobInputter")

Detailed Description

The ScreeningJobInputter The ScreeningJobInputter simplifies the process of inputting and handling input to a vHTS protocol. The ScreeningJobInputter takes in a JSON file using the -in:file:screening_job_file option This file is in the following format: { "jobs" : [ { "group_name" : "group_name_a", "proteins" : ["protein_a.pdb", "protein_b.pdb"], "ligands" : ["ligand_a.pdb", "ligand_b.pdb"] } ] "params : [ "aaa.param", "aab.param".