Selection of structure factors for DM
Hi Folks, If I am using phenix.autosol for my phasing and dm, is there a way I can specify the "native" FP to use for phase extension? What I would like to be able to do is use a named wavelength for this rather than a synthetic data set composed from all input data... I used to do this with resolve by cadding in the chosen columns (F, SIGF) after solve and then telling resolve what columns to use. Would be cute to be able to not do this! Am running from the command line interface. Thanks, Graeme
Hi Graeme, In autosol you don't have the option you are looking for. However in autobuild you can do this: hires_file=my-native-FP-for-extension.mtz and it should do exactly what you want. If you are just looking to calculate maps, you can also specify: maps_only=True and it will density modify, phase extend and write out a map file for you. All the best, Tom T
Hi Folks,
If I am using phenix.autosol for my phasing and dm, is there a way I can specify the "native" FP to use for phase extension? What I would like to be able to do is use a named wavelength for this rather than a synthetic data set composed from all input data...
I used to do this with resolve by cadding in the chosen columns (F, SIGF) after solve and then telling resolve what columns to use. Would be cute to be able to not do this!
Am running from the command line interface.
Thanks,
Graeme _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb
Hi Tom,
Just the job - thanks!
Graeme
2008/12/16 Tom Terwilliger
Hi Graeme,
In autosol you don't have the option you are looking for. However in autobuild you can do this:
hires_file=my-native-FP-for-extension.mtz
and it should do exactly what you want.
If you are just looking to calculate maps, you can also specify:
maps_only=True
and it will density modify, phase extend and write out a map file for you.
All the best, Tom T
Hi Folks,
If I am using phenix.autosol for my phasing and dm, is there a way I can specify the "native" FP to use for phase extension? What I would like to be able to do is use a named wavelength for this rather than a synthetic data set composed from all input data...
I used to do this with resolve by cadding in the chosen columns (F, SIGF) after solve and then telling resolve what columns to use. Would be cute to be able to not do this!
Am running from the command line interface.
Thanks,
Graeme _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb
_______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb
participants (2)
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Graeme Winter
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Tom Terwilliger