Dear Kai,
I agree that Ian's response was strongly worded, but I don't think it is personal. I agree with Ian that assignment of screw axes based on axial reflections is very unreliable. That is why I always advice people to run molecular replacement in all possible space groups, independent of what the data processing programs may claim. If a data set gets reindexed because molecular replacement found out that the initial assignment of screw axes was incorrect, this is also a great source of confusion, especially if novices follow the advice of the bulletin board to always use the original mtz file as input for refinement!
Best,
Herman
-----Ursprüngliche Nachricht-----
Von: CCP4 bulletin board [mailto:[log in to unmask]] Im Auftrag von Kay Diederichs
Gesendet: Freitag, 29. Januar 2016 13:51
An: [log in to unmask]
Betreff: Re: [ccp4bb] Spacegroups, screw axes and ordering
Ian,
we have not met in the past and did not have any scientific conflict, AFAIK.
Thus, I am really surprised that you attack my opinion so verbosely,
with strong words such as "seriously misrepresenting" and "asserting".
Maybe a cultural or language difference of some sort that I have not so
far encountered, nor do I understand it.
Anyway, I won't try to answer in the same or similar way.
sincerely,
Kay
--
Kay Diederichs http://strucbio.biologie.uni-konstanz.de
email: [log in to unmask] Tel +49 7531 88 4049 Fax 3183
Fachbereich Biologie, Universität Konstanz, Box M647, D-78457 Konstanz
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