Hi Brian, if you type phenix.maps and hit return it will print out some on-screen information about the program, ahat it can do and how, and it will created a parameter file ot compute the maps (maps.params). You can edit that file to customize your maps, and then run it as phenix.maps maps.params Yos you can see the "anomalous_scatterers { " is not mentionaed anywhere in that parameter file maps.params, obviously meaning that these parameters cannot be defined for phenix.maps. (you probably confuse it with phenix.refine where you can do it.) If you tell me what exactly you are trying to achieve then I will try to help with existing tool or I will add new functionality so you can do what you want. Well, I guess I have an idea, so I will work on this as soon as I get a chance. Pavel. On 10/6/10 12:21 PM, Lepore, Bryan wrote:
i'd like to define anomalous scattering corrections for phenix.maps, it looks like i'm not doing it right.
it appears that simply pasting in various adjustments of :
anomalous_scatterers { group { selection = element = Ni f_prime = 2.4 f_double_prime = -0.1 refine = *f_prime *f_double_prime # not sure about this one }
in various places in maps.params mostly causes phenix.maps to report "unused parameter", e.g:
maps.anomalous_scatterers.group.selection
this should work, right? what am i missing here - is there a scope missing, what scope does this go in, did i miss this in the docs...
-bryan _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb