abakan/ProDy — Issue #98: Fragments
Author: abakan
Created: 2012-03-06 03:25:57+00:00
State: open

Implement an `AtomGroup` method for detecting fragments, connected atom subsets, using bond data. Once built, fragments should be indexed starting from 0. It should be possible to use *fragment* in atom selections, e.g. `"fragment 0"` selecting the first connected atom subset from an `AtomGroup` instance. Also implement `AtomGroup.numFragments()` and `AtomGroup.iterFragments()` methods, latter yielding `Selections` instances.