how-to change resolve keywords using phenix.multi_crystal_average
Dear board I am doing a difficult case of density modification. I get good results using resolve after optimising some keywords. I now want to use multicrystal averaging. This works ok in dmmulti, but I would like to combine it with resolve. For this I have tried phenix.multi_crystal_average, which also runs phenix.resolve, but it uses default keywords for resolve, and I can't find documentation on how to change these keywords. Current maps from phenix.multi_crystal_average are worse that the optimized resolve maps, and I believe this is because of the default resolve settings. Is it possible to control resolve keywords using phenix.multi_crystal_average? And how can I do it? Thanks in advance -Bjørn -- Bjørn Panyella Pedersen, PhD Postdoc PUMPKIN, Centre for Membrane Pumps in Cells and Disease University of Aarhus, Dept. Molecular Biology Gustav Wieds Vej 10C DK-8000 Aarhus C, Denmark Phone: +45 89425261 E-mail: bjopp@bioxray.au.dk http://www.bioxray.au.dk
Hi Bjørn, Unfortunately your version of phenix.multi_crystal_average does not have a keyword to enter arbitrary resolve commands. I just put it in however, so if you download the next available version of phenix (probably tomorrow) then you should be able to say resolve_command_list= " 'my_resolve_command_1 value_1 ' \ 'my_resolve_command_2 value_2' " or whatever is necessary. Note the two sets of quotes if you specify it on the command line. In a parameters file one set of quotes is used. There is a little complication with this keyword in that it applies your commands every time resolve is run, not just in the key density modification steps. Let me know if this doesn't do what you need and I'll try to help. All the best, Tom T phenix.multi_crystal_average
participants (2)
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Bjørn Panyella Pedersen -
Thomas C. Terwilliger