Failed to make map after phenix.refine
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
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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participants (2)
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Pavel Afonine
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Zhou, Tongqing (NIH/VRC) [E]