[phenixbb] again: XDS files

Kay Diederichs kay.diederichs at uni-konstanz.de
Sat Jun 11 01:37:48 PDT 2011

Hi everybody,

it has been possible for many years to produce MTZ files from XDS data; 
I do that all the time, going through xdsconv (filetype CCP4, or CCP4_F, 
or CCP4_I depending on what type of data one wants - see the docs). This 
works very well. Others use the xds/pointless/scala/truncate route or 
the older xds/combat route or ... - as long as it works that's fine.

Thus my message was not meant to discourage people from doing that. 
Rather I see a new possibility to go _directly_ into Phenix, which 
clearly may be desirable in some cases (less programs involved means 
less work and maybe fewer bugs), and I wanted to describe the options.

If Autosol can use unmerged data (which was new to me), then going from 
XDS through pointless to a unmerged MTZ file should be the easiest and 
best way 



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