mol2.h File Reference

Functions to read mol2s. More...

#include <IMP/atom/atom_config.h>
#include "Hierarchy.h"
#include "atom_macros.h"
#include "internal/mol2.h"
#include <IMP/Model.h>
#include <IMP/Particle.h>
#include <IMP/file.h>

Include dependency graph for mol2.h:

This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

Classes
class	IMP::atom::AllMol2Selector
	Read all atoms. More...
class	IMP::atom::Mol2Selector
	A base class for choosing which Mol2 atoms to read. More...
class	IMP::atom::NonHydrogenMol2Selector
	Defines a selector that will pick only non-hydrogen atoms. More...

Namespaces
namespace	IMP
	All IMP::kernel code is brought into the IMP namespace.
namespace	IMP::atom
	See IMP.atom Overview for more information.

Mol2 IO
IMP can also read and write Mol2 files. As with read_pdb(), selector objects are used to determine which atoms are read. The read function produces a hierarchy containing the molecule. The write hierarchy writes all the Residue types in the hierarchy to the file.
Hierarchy	IMP::atom::read_mol2 (base::TextInput mol2_file, Model *model, Mol2Selector *mol2sel=nullptr)
void	IMP::atom::write_mol2 (Hierarchy rhd, base::TextOutput file_name)

Detailed Description

Copyright 2007-2013 IMP Inventors. All rights reserved.

Definition in file mol2.h.