hierarchy_tools.h File Reference

functionality for defining rigid bodies More...

Include dependency graph for hierarchy_tools.h:

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

Go to the source code of this file.

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
Hierarchy	IMP::atom::create_protein (Model *m, double resolution, int number_of_residues, int first_residue_index=0, double volume=-1, double spring_strength=1)
	Create a coarse grained molecule.
Simplification along backbone
These two methods create a simplified version of a molecule by merging residues sequentially. In one case every n residues are merged, in the other, the intervals are passed manually. The resulting molecule is not optimized by default and has no restraints automatically created. At the moment, the calls only support unmodified hierarchies loaded by read_pdb() which have only protein or DNA members. They return Hierarchy() if the input chain is empty.
Hierarchy	IMP::atom::create_simplified_along_backbone (Chain in, const IntRanges &residue_segments)
Hierarchy	IMP::atom::create_simplified_along_backbone (Chain in, int num_res)

---

Detailed Description

functionality for defining rigid bodies

Copyright 2007-2010 IMP Inventors. All rights reserved.