[phenixbb] how-to change resolve keywords using phenix.multi_crystal_average

[Thomas C. Terwilliger]

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

 >> 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 at bioxray.au.dk
>> http://www.bioxray.au.dk
>>
>>
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