mol_writer.cc File Reference

#include <core/chemical/sdf/mol_writer.hh>
#include <core/chemical/sdf/mol_util.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/AtomType.hh>
#include <core/chemical/ResidueType.hh>
#include <utility/string_util.hh>
#include <set>
#include <boost/foreach.hpp>
#include <utility/vector1.hh>
#include <utility/io/ozstream.hh>

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Namespaces
	core
	A class for defining atom parameters, known as atom_types.
	core::chemical
	core::chemical::sdf

Constant Groups
	core
	A class for defining atom parameters, known as atom_types.
	core::chemical
	core::chemical::sdf

Macros
#define	foreach   BOOST_FOREACH

Detailed Description

Author

Sam DeLuca

this class outputs a residue in the form of a V3000 molfile, for details of the spec, see http://www.symyx.com/downloads/public/ctfile/ctfile.pdf

Definition in file mol_writer.cc.

Macro Definition Documentation

#define foreach   BOOST_FOREACH

Definition at line 28 of file mol_writer.cc.