[phenixbb] copy R-free array from reference mtz using command line?
pjeffrey at princeton.edu
Mon Aug 30 15:31:39 PDT 2021
cad hklin1 target.mtz hklin2 reference.mtz hklout merged.mtz << EOF
LABIN FILE 1 ALL
LABIN FILE 2 E1=FreeR_flag
LABOUT FILE 2 E1=FreeR_flag
might do it, assuming you have CCP4 (always a good idea).
Normally I'd have explicit labels for LABOUT for FILE_NUMBER 1 but I
suspect you don't formally need it. Do an mtzdump hklin merged.mtz to
check that you got what you expected.
On 8/30/21 6:15 PM, Pavel Afonine wrote:
> Hi Aaron,
> I don't think we have a tool to do that.. It's relatively easy to script
> using CCTBX. I can send you an example of such a script, if interested.
> On 8/26/21 13:30, Aaron Thompson wrote:
>> I know this can be done via GUI, but is it possible to copy the R-free
>> array from a reference mtz to a new mtz using the command line? I
>> don’t see this as an option in phenix.reflection_file_converter.
>> Thank you,
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