[phenixbb] labelit.index is too precise not to allow 0.000001 deg difference

Nicholas Sauter nksauter at lbl.gov
Mon Apr 2 07:56:27 PDT 2012


I'll modify Labelit so as to allow last-digit fluctuations in
single-precision delta phi.

Nick Sauter

On Sun, Apr 1, 2012 at 10:08 PM, <fukamitka at chugai-pharm.co.jp> wrote:

> Dear Phenix developers,
>
> I had a problem in indexing by labelit.index in phenix-1.7.3-928,
> getting the error below:
>
> InputFileError: Input error: All images must have same oscillation range
> (delta phi).
>
> My dataset was collected by inhouse R-axis with 0.8 deg oscillation.
> Image header values of oscillation range fluctuate between 0.799999 -
> 0.800004 degrees.
> When I specified two images whose delta phi angles were different,
> say 0.799999 and 0.800003, labelit.index stopped with the error above.
>
> I don't think a goniometer have such a precision, therefore I think line
> 249
> in /phenix-1.7.3-928/labelit/command_line/imagefiles.py should be modified
> not to use == instead of similar_delta_phi() or something.
>
>  246   if False in [similar_wavelength(self.images[0],self.images[x]) for
> x in xrange(1,Nimages)]:
>  247     raise InputFileError("""All images must have similar
> wavelength.""")
>  248
>  249   if False in [self.images[0].deltaphi==self.images[x].deltaphi for x
> in xrange(1,Nimages)]:
>  250     raise InputFileError("""All images must have same oscillation
> range (delta phi).""")
>
> Best regards,
>
> Takaaki Fukami
>
> -----
> Dr. Takaaki Fukami (mailto:fukamitka at chugai-pharm.co.jp)
> Discovery Research Dept. (Biostructure Gr.)
> Roche Group: Chugai Pharmaceutical Co.,Ltd.
>
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> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb
>



-- 
Nicholas K. Sauter, Ph. D.
Computer Staff Scientist, Physical Biosciences Division
Acting Head, Berkeley Center for Structural Biology
Lawrence Berkeley National Laboratory
1 Cyclotron Rd., Bldg. 64R0121
Berkeley, CA 94720-8118
(510) 486-5713
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