PROFASI  Version 1.5
Classes
Conformational Updates

Conformational updates for proteins and related utilities. More...

Classes

class  prf::BGS
 Biased Gaussian Steps. More...
 
class  prf::Pivot
 Pivot move twists the protein about one backbone degree of freedom. More...
 
class  prf::Rot
 Rotation of a single side chain torsional degree of freedom. More...
 
class  prf::Rotation
 Rigid body rotation of a whole chain. More...
 
class  prf::Translation
 Rigid body translation of a whole chain. More...
 
class  prf::Update
 The base class for all conformational updates. More...
 

Detailed Description

These classes represent different ways to propose a new conformation of a protein chain during a Monte Carlo simulation. An update could be a single angle update, representing a certain kind of change in one of the degrees of freedom, or a concerted update of a series of angles. An update class should conform to the interface defined by the base class called Update. Any class that inherits from Update and provides sensible actions for the different virtual member functions of Update (by overriding the virtual functions) can be used in a Monte Carlo simulation with ProFASi. In fact, it is quite likely that if an update class provides the information that the virtual functions in the base class ask for, the energy classes of ProFASi will automatically know how to evaluate increments in energy due to the update in an optimized manner. This module also contains other entities related to conformational updates, such as probability calculators for such updates.


PROFASI: Protein Folding and Aggregation Simulator, Version 1.5
© (2005-2016) Anders Irbäck and Sandipan Mohanty
Documentation generated on Mon Jul 18 2016 using Doxygen version 1.8.2