[phenixbb] specifying column labels for input MTZ file

Schubert, Carsten [PRDUS] CSCHUBER at its.jnj.com
Wed Sep 9 11:22:40 PDT 2009


Tirumal:

refinement.input.xray_data.labels="FP,SIGFP"

should do the trick.

Cheers,

	Carsten


> -----Original Message-----
> From: phenixbb-bounces at phenix-online.org [mailto:phenixbb-
> bounces at phenix-online.org] On Behalf Of Tirumala Kumar Chowdary
> Sent: Wednesday, September 09, 2009 2:10 PM
> To: phenixbb at phenix-online.org
> Subject: [phenixbb] specifying column labels for input MTZ file
> 
> Hi,
> 
> I am trying to run phenix.refine with a sharp output MTZ file (column
> labels  H K L NUMORB FB PHIB FOM HX HY FH PHIH FP SIGFP HLA HLB HLC
HLD
> HL0 Fcent PHIcent FOMcent Fmap PHImap FHref PHIHref Fav SIGFav).
> 
> Phenix.refine stopped at
> 
> 'Multiple equally suitable arrays of observed xray data found.
> 
> Possible choices:
>   sharp_sad_se_eden.mtz:FP,SIGFP
>   sharp_sad_se_eden.mtz:Fav,SIGFav
> 
> Please use refinement.input.xray_data.labels'
> 
> Can someone tell me on how to use this
> 'refinement.input.xray_data.labels' and how to specify which column
> labels to use. There is nothing written in the documentation about it.
> 
> Thanks
> Tirumal
> 
> 
> 
> 
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://www.phenix-online.org/mailman/listinfo/phenixbb





More information about the phenixbb mailing list