Re: [phenixbb] calculate map from ensemble refinement

Hi Joel, phenix.maps actually supposed to handle multi-model files provided that the occupancies are meaningful (equal to 1/N, where N is the number of models). But honestly I've never tried it with more than a few (5-10) models.. Pavel On 7/23/13 8:20 AM, Tom Burnley wrote:

Hi Joel,

Short answer is no you need to run the jobs again. However if they took an age to complete let me know as I have some scripts that can help reconstruct the maps. Also please could you email me (off list) the input parameter file you used. You are correct that the map_type=None likely caused the crash but I'd like to check that and make it so it intercepts this issue earlier in the code.

Cheers,

Tom

On 23 July 2013 17:05, Bard, Joel mailto:[email protected]> wrote:

Hi-

I ran phenix.ensemble refinement which worked very nicely but crashed during map output. I think this was my fault for using a parameter file that had map_type = None (I didn't look and assumed the default was reasonable). I would like to calculate maps after the fact. Is there a way to run the map calculation on the output ensemble pdb file and reflection data? I tried phenix.maps which choked on the huge ensemble.

Thanks,

Joel