Closed jhprinz closed 9 years ago
Maybe add an option for specifying a local version of the PDB file?
Maybe add an option for specifying a local version of the PDB file?
We should upload PDB files for all our SiegeTank projects, or this is going to become a nightmare.
So far I think that the .pdb are added as a tag at least in our scripts. Should be place these somewhere in the folder structure see #6 Once we have a set of scripts that allow easy adding streams in our folderstructure we can include adding a pdb automatically
Closing this for now, as siegetank is stalled
So, I will add a simple siegetank support for project munging. This will
all-atoms
folder (I think this part is different from FAH, since this is done automatically by FAH)fahmunge.automation.merge_fah_trajectories
) : this already exists in fah.pySuggestions?