navicatGA.wrappers_xyz

Attributes

COORD_THRESHOLD
QUEUE_TYPE
USER
logger
queue_env_var

Classes

Hashable_Geometry

This is a modified version of the Geometry class in AaronTools.py, which is identical but hashable.

Functions

chromosome_to_xyz()	Wrapper function for simplicity.
geom2angle(geom, a1, a2, a3)
geom2bond(geom, a1, a2)
geom2dihedral(geom, a1, a2, a3, a4)
geom2sub_sterimol(geom, pos, parameter)
gl2geom(chromosome[, h_positions])	Check if a chromosome (list of geometries) can lead to a valid structure.

Module Contents

class navicatGA.wrappers_xyz.Hashable_Geometry(*args, **kw)

Bases: AaronTools.geometry.Geometry

This is a modified version of the Geometry class in AaronTools.py, which is identical but hashable.

navicatGA.wrappers_xyz.chromosome_to_xyz()

Wrapper function for simplicity.

navicatGA.wrappers_xyz.geom2angle(geom, a1, a2, a3)

navicatGA.wrappers_xyz.geom2bond(geom, a1, a2)

navicatGA.wrappers_xyz.geom2dihedral(geom, a1, a2, a3, a4)

navicatGA.wrappers_xyz.geom2sub_sterimol(geom, pos, parameter)

navicatGA.wrappers_xyz.gl2geom(chromosome, h_positions='19-20')

Check if a chromosome (list of geometries) can lead to a valid structure.

navicatGA.wrappers_xyz.COORD_THRESHOLD = 0.2

navicatGA.wrappers_xyz.QUEUE_TYPE

navicatGA.wrappers_xyz.USER

navicatGA.wrappers_xyz.logger

navicatGA.wrappers_xyz.queue_env_var