js850/PyGMIN — pull request #59 by lsmeeton (2013-05-03 11:18:33+00:00)
Title: Dg changes

Added a script `scripts/optim_converter.py` which converts PATHSAMPLE min.data/ts.data... into sqlite databases without having to extract all minima co-ordinates as .xyz files.

Added functions to make building disconnectivity graphs faster and implemented colouring of basins, and changed the dg_gui accordingly.