In a few months, I will retire, because my brain thinks it is still young but the rest of the body disagrees and thinks the brain is slightly senile. Of course, I will miss the protein structures very much, so unpredictable in their insolent beauty.
I have devoted several years of my life to the B-factors of their atoms. Initially, almost 30 years ago, some colleagues mocked me, telling me that the B-side of proteins was nothing but dust hidden under the carpet, nothing but background noise. Some later changed their minds, and it is now generally agreed that the B-side of proteins deserves to be visited and admired. However, I am concerned about more recent developments that are turning B-factors into real junk. TLS refinements as audacious as they are ridiculously unprofessional are producing disasters. For example, the 8q66 structure is very strange. It has been split into individual TLS mini-blocks, which clearly demonstrates that the authors are unaware of the TLS procedure and its proper application. A protein containing two structural domains was divided into six small TLS blocks, one of which belongs to both domains. Where are physics and chemistry? How can this happen? Here is the answer from a friend and colleague: “unfortunately, the crystallographic programs became so automatic and easy to use nowadays, that even complete ignorant people can get something from them, and do not think if what they got makes sense or not.” Are computational models preferable in the end? ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
