mol2.h File Reference

Functions to read mol2s. More...

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Data Structures
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
	The IMP kernel provides base classes and key shared functionality.
namespace	IMP::atom
	This module contains functionality for dealing with atoms and proteins.
Functions
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 (TextInput mol2_file, Model *model, const Mol2Selector &mol2sel=AllMol2Selector())
void	IMP::atom::write_mol2 (Hierarchy rhd, TextOutput file_name)

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Detailed Description

Functions to read mol2s.

Copyright 2007-9 IMP Inventors. All rights reserved.