protonatePack.cc File Reference

This is to illustrate reading in a ligand with multiple residues and then reassembling the ligand (using Rosetta). @detail Run this script with the following arguments: 1) in::file::s

) in::path::database <root director of minirosetta database> 3) in::file::extra_res_fa <list of extra params files, one per residue type> More...

#include <devel/init.hh>
#include <protocols/ligand_docking/LigandBaseProtocol.hh>
#include <Objecxx/FArray1D.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <core/import_pose/import_pose.hh>
#include <utility/excn/Exceptions.hh>

Functions
int	main (int argc, char *argv[])

Detailed Description

This is to illustrate reading in a ligand with multiple residues and then reassembling the ligand (using Rosetta). @detail Run this script with the following arguments: 1) in::file::s

) in::path::database <root director of minirosetta database> 3) in::file::extra_res_fa <list of extra params files, one per residue type>

Author

Gordon Lemmon (glemm.nosp@m.on@g.nosp@m.mail..nosp@m.com)

Function Documentation

main()

int main	(	int	argc,
		char *	argv[]
	)

References argv, test.T009_Exceptions::e, basic::init(), basic::options::option, bin_torsions::output, kic_runner::pdb, pdbs, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file(), basic::options::OptionKeys::docking::ligand::protocol, basic::options::OptionKeys::in::file::s, and vancomycin::task.