Re: [phenixbb] Failed to make map after phenix.refine

11 Nov 2009

      Hi Tongqing,

phenix.refine always outputs some maps by default. If you customize your 
own map in addition to the default ones, you need to change the labels, 
for example:

mtz_label_amplitudes = "2FOFCWT_new"
mtz_label_phases = "PH2FOFCWT_new"

Otherwise your new custom map labels will conflict with the default ones.

This was discussed on the board 10+ times. In future it will be taken 
care of automatically, but for the moment you need to change the labels 
manually.

Pavel.

On 11/11/09 8:03 AM, Zhou, Tongqing (NIH/VRC) [E] wrote:
...
Hi, All
I am having problem with the new 1.5.2. After few rounds of refinement, the program failed to write out maps. It ended with:
"Sorry: Duplicate mtz_label_amplitudes:FOFCWT"
Here is the portion in my param file which worked fine before:
  electron_density_maps {
    map_format = *xplor
    map_coefficients_format = mtz *phs
    suppress = None
    map {
      mtz_label_amplitudes = "2FOFCWT"
      mtz_label_phases = "PH2FOFCWT"
      likelihood_weighted = True
      obs_factor = 2
      calc_factor = 1
    }
    map {
      mtz_label_amplitudes = "FOFCWT"
      mtz_label_phases = "PHFOFCWT"
      likelihood_weighted = True
      obs_factor = 1
      calc_factor = 1
    }
}
Thanks in advance for your help.
Tongqing
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Re: [phenixbb] Failed to make map after phenix.refine

Pavel Afonine