> On 3 Jul 2026, at 16:43, Kikuti Carlos > <[email protected]> wrote: > > And I am aware that most of the time, analysis and molecular dynamics > programs do not take B-factors in account.
At the risk of diverging from the original topic of discussion - but it’s too good to resist. Many years ago I was tangentially involved with a computational biologist that was (as far as I can remember) doing normal mode analysis based on some of our structures including one I’d built and refined. On several occasions he was a bit rude about the quality of the model building and when eventually pressed said “and they even built some atoms *on top of* other atoms”. It turned out the scripts that were used to prepare the input coordinates ignored the altLoc column and I had built a few sidechains in the structure with alternative conformations… Huw ######################################################################## 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/
