[phenixbb] calculate map from ensemble refinement

Tom Burnley tom.burnley at gmail.com
Tue Jul 23 08:20:19 PDT 2013


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 <Joel.Bard at pfizer.com> 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****
>
> ** **
>
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
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>
>
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