Menu

Commit [r2683]  Maximize  Restore  History

Creation of a uniform distribution of unit vectors on a sphere using uniform spherical angles.

The function 'self.uniform_vect_dist_spherical_angles()' has been added to the file
'generic_fns/pdb.py'. This function has the explicit purpose of generating a uniform distribution
of unit vectors on a sphere. It does this by using a linear distribution of values of the azimuthal
angle theta in combination with an arc-cos distribution of values of the polar angle. Each is
incremented one by one and unit vectors from the spherical angles are calculated. This creates both
radial arrays corresponding to the longitude and horizontal latitudinal arrays of vectors.

For the tensor PDB file, this currently generates a number of non-bonded H atoms distributed 1
Angstrom form the origin of the PDB frame. This will soon be transformed into the diffusion frame,
the unit vectors scaled to the appropriate diffusion rate, and the atoms joined.

bugman 2006-10-29

changed /branches/tensor_pdb/generic_fns/pdb.py
/branches/tensor_pdb/generic_fns/pdb.py Diff Switch to side-by-side view
Loading...
Want the latest updates on software, tech news, and AI?
Get latest updates about software, tech news, and AI from SourceForge directly in your inbox once a month.