process_mdl.cc File Reference

AtomType and assign neighbor atoms for a list of mdl files, output fixed mdl files and pdbs. More...

#include <devel/init.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/chemical/MMAtomTypeSet.hh>
#include <core/chemical/orbitals/OrbitalTypeSet.hh>
#include <core/chemical/sdf/mol_parser.hh>
#include <core/chemical/sdf/mol_writer.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <utility/io/ozstream.hh>
#include <utility/io/izstream.hh>
#include <utility/string_util.hh>
#include <list>
#include <string>

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

Detailed Description

AtomType and assign neighbor atoms for a list of mdl files, output fixed mdl files and pdbs.

Author

Sam DeLuca

Function Documentation

main()

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

References argv, base_name(), utility::io::oc::cout, test.T009_Exceptions::e, lactamize::filename, getline(), basic::init(), subloop_histogram::iterator, basic::options::OptionKeys::in::file::l, line, basic::options::OptionKeys::in::file::list, basic::options::option, enumerate_junctions::parser, utility::pathname(), beta_nonlocal::pose, residue, basic::options::OptionKeys::in::file::s, utility::string_split(), and basic::options::OptionKeys::inout::dbms::user.