utility::A Struct Reference

A molecular system including residues, kinematics, and energies. More...

#include <self_test_01.hpp>

Public Attributes
int	value
	comment 5 More...

Detailed Description

A molecular system including residues, kinematics, and energies.

comment 1 comment 2

aaa\The P"ose" <class> represents a molecular system (protein-dna-ligand...) as a container of Rosetta Residue objects together with a Conformation object that defines how internal coordinate changes propagate through the system and an Energies object that stores information from the last energy evaluation.

The main responsibilities of the pose are:

• Kinematic: (a) to update the xyz coordinates in response to changes to internal degrees of freedom, and (b) to update internal coordinates when the user modifes the xyz (Cartesian) coords,

• Scoring: (a) to keep track of what parts of the structure have changed since the last score evaluation, and (b) to cache residue and residue-pair energies for efficient re-use

• As a container: The pose provides a single object for passing a molecular system and for copying of entire molecules or stretches of molecules from one Pose object into another.

Output Methods: Common Methods: Pose.assign Pose.atom_tree Pose.conformation Pose.dump_pdb Pose.dump_cif Pose.dump_file Pose.energies Pose.fold_tree Pose.pdb_info Pose.residue Pose.sequence Pose.total_residuecomment 3 comment 4

Member Data Documentation

int utility::A::value

comment 5

Referenced by utility::operator<<().

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The documentation for this struct was generated from the following file:

• src/python/PyRosetta/binder/self_test_01.hpp