labelit.index is too precise not to allow 0.000001 deg difference
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:[email protected]) Discovery Research Dept. (Biostructure Gr.) Roche Group: Chugai Pharmaceutical Co.,Ltd.
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,
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:[email protected]) Discovery Research Dept. (Biostructure Gr.) Roche Group: Chugai Pharmaceutical Co.,Ltd.
_______________________________________________ phenixbb mailing list [email protected] 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
Quick fix: use autoindex_override_deltaphi=0.8 on the labelit.index
command line.
Nick
On Sun, Apr 1, 2012 at 10:08 PM,
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:[email protected]) Discovery Research Dept. (Biostructure Gr.) Roche Group: Chugai Pharmaceutical Co.,Ltd.
_______________________________________________ phenixbb mailing list [email protected] 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
participants (2)
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fukamitka＠chugai-pharm.co.jp -
Nicholas Sauter