abakan/ProDy — Issue #82: writePDB accepts additional coordinate sets
Author: abakan
Created: 2011-11-29 03:08:30+00:00
State: open

change writePDB to accept additional coordinate sets, e.g. an ensemble instance, numpy array. Additional coordinate sets must have same number of atoms with the *atoms* argument:

>>> writePDB(filename, atoms, *coords, **kwargs)

*model* argument will become a keyword argument after this change.