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:[email protected]] Im Auftrag von Kay Diederichs Gesendet: Freitag, 29. Januar 2016 13:51 An: [email protected] 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: [email protected] Tel +49 7531 88 4049 Fax 3183 Fachbereich Biologie, Universität Konstanz, Box M647, D-78457 Konstanz
