/ . / Trajectory / DCD / MDToolsMarch97 / md.py 

MDTools provides utilities for manipulating molecular data.

Written by James Phillips, University of Illinois.

WWW: http://www.ks.uiuc.edu/~jim/mdtools/

RCS: $Id: md.py,v 1.2 2005/08/20 00:26:36 gregc Exp $

Class Hierarchy: HomoCoord -> Coord -> Atom -> Vector AtomGroup -> ASel -> Residue -> ResidueGroup -> RSel -> Segment -> SegmentGroup -> Molecule Trans DCD -> DCDWrite Data -> NAMDOutput

Utilities: help([topic]) - easy access to documentation dist(a,b) - distances between Coords or groups distsq(a,b) - distance squared between Coords angle(a,b,c,[d],[units]) - angle (a,b,c) or dihedral (a,b,c,d) (dist() and angle() also accept tuples of Coords as single arguments.)

Localizations: xyplot - internal use class for Data to launch a plotting program pdbview - internal use class for Molecule to launch a pdb viewer

Constants: backbone - names of atoms considered part of the backbone angleunits - definitions of rad, pi, and deg angledefault - set to deg

help ( name=None )