HappyDoc Generated Documentation .\chimera\bondGeom.py

. / chimera / bondGeom.py 

Bond geometry utilities

Functions   
  tetraPos 
tetraPos (
        bondee,
        bonded,
        bondLen,
        toward=None,
        away=None,
        toward2=None,
        away2=None,
        )
  planarPos 
planarPos (
        bondee,
        bonded,
        bondLen,
        coPlanar=None,
        toward=None,
        away=None,
        toward2=None,
        away2=None,
        )
  rightAngle 
rightAngle ( orig )
  linearPos 
linearPos (
        bondee,
        bonded,
        bondLen,
        toward=None,
        away=None,
        )
  bondPositions 
bondPositions (
        bondee,
        geom,
        bondLen,
        bonded,
        coPlanar=None,
        toward=None,
        away=None,
        toward2=None,
        away2=None,
        )

Return a list of possible bond partner positions for bondee that satisfy geometry geom and are of length bondLen. bonded are positions of already-bonded substituents to bondee.

bondee is a Point and bonded is a list of Points. The return value is a list of Points.

For planar geometries, coPlanar can be a list of one or two points that the bond positions should be coplanar with.

For rotamers, if toward is specified then one bond position of the rotamer will be as close as possible to the toward point. Conversely, if away is specified, then all bond positions will be as far as possible from the away point. toward has precedence over away. If this doesn't completely determine the bond positions (i.e. no initial bonded substituents), then toward2 and away2 will be considered in a similar manner to determine the remaining positions.

Exceptions   

ValueError, "Unknown geometry type '%s'" % geom
ValueError, "Cannot specify both toward and away," " or both toward2 and away2"

  anglePos 
anglePos (
        atomPos,
        bondPos,
        bondLength,
        degrees,
        coplanar=None,
        )
Exceptions   

ValueError, "More than 2 coplanar positions specified!"

  singlePos 
singlePos (
        bondee,
        bondLen,
        toward=None,
        away=None,
        )
Classes   

This document was automatically generated Thu Nov 09 13:33:50 2006 by HappyDoc version 3.0.a1