[phenixbb] autosol: FATAL RUNTIME ERROR :Wavelength outside range of Sasaki tables.

[Tom Terwilliger]

Hi Georg,
I'm sorry for the trouble!   I thought I had fixed the limitation of
wavelength in autosol in March but I may have missed something!  I think
you are using a recent nightly build so your phenix should have whatever I
did.  If so, can you possibly send me the full log file and input files and
I'll try it here and fix the wavelength problem?
Thanks a lot!
-Tom T


On Sun, Aug 26, 2018 at 2:42 PM, Georg Mlynek <georg.mlynek at univie.ac.at>
wrote:

> Dear Phaser Developers, we have collected data at diamond at 3A wavelength
> for Ca-MAD.
>
> Running autosol supplying the peak and remote dataset I get a solution.
> However the resolution is too low for autobuild to be successful.
>
> Therefore I continued with MR-SAD supplying the peak
> data=overall_best_refine_data.mtz
>
> This is my input mtz
>
> However get this error message:
>
> Error message from Phaser:
> FATAL RUNTIME ERROR :Wavelength outside range of Sasaki tables.
> Use SCATTERING to specify f' and f" for atom(s) "S"
> Phaser phasing did not work
>
>
> Scattering factors for Ca will be f'=  -6.74 f''=   6.55
> Using partial model pdb file as substructure:
> /home/g/r/aactn1_merge/phaser_31/aactn1_merge_phaser.1.pdb  with RMS=  0.7
> Data output to :  AutoSol_run_32_/TEMP0/phaser_mtz
> FATAL RUNTIME ERROR :Wavelength outside range of Sasaki tables.
> Use SCATTERING to specify f' and f" for atom(s) "S"
> Phaser phasing did not work
> Analysis failed on solution evaluation
>
> *If I specify S as atom it continues without any problem however I get
> this warning, which I don't understand scientifically.*
>
> The same error I get (of course) when I would like to run PHASER-EP
>
> I guess the errors are just resulting from the programs not adjusted to
> the longwavelength beamline.
>
> Many thanks, best regards Georg.
>
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-- 
Thomas C Terwilliger
Laboratory Fellow, Los Alamos National Laboratory
Senior Scientist, New Mexico Consortium
100 Entrada Dr, Los Alamos, NM 87544
Email: tterwilliger at newmexicoconsortium.org
Tel: 505-431-0033
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