Hi Jonathan It's historical, it's simply how it appears in the expression for the Debye-Waller factor, i.e. exp(-B sin^2(theta)/lambda^2). So it must have the same units as lambda^2.
Cheers -- Ian On Thu, 27 May 2021 at 13:25, Hughes, Jonathan < [email protected]> wrote: > o yes! but maybe the crystal people could explain to me why the B factor > is the variance (with units of Ų) rather than the standard deviation (i.e. > RMS, with units of Å) when, to my simple mind, the latter would seem be the > more appropriate description of variability in space? > > cheers > > jon > > > > *Von:* CCP4 bulletin board <[email protected]> *Im Auftrag von *Pearce, > N.M. (Nick) > *Gesendet:* Donnerstag, 27. Mai 2021 12:38 > *A**n:* [email protected] > *Betreff:* Re: [ccp4bb] Analysis of NMR ensembles > > > > If you want something comparable to B-factors don’t forget to put the MSF > in the B-factor column, not the *R*MSF. Will change the scaling of the > tube radius considerably! > > > > Nick > > > > On 27 May 2021, at 11:16, Harry Powell - CCP4BB < > [email protected]> wrote: > > > > Cool… > > > > Purely for visualisation this does look like the approved CCP4 way - > > > > <Screen Shot 2021-05-27 at 10.13.59.png> > > > > Harry > > > On 27 May 2021, at 10:01, Stuart McNicholas < > [email protected]> wrote: > > Drawing style (right menu in display table) -> Worm scaled by -> Worm > scaled by NMR variability > > in ccp4mg? > > This changes the size of the worm but not the colour. > > On Thu, 27 May 2021 at 09:56, Harry Powell - CCP4BB > <[email protected]> wrote: > > > Anyway, thanks to all those who answered my original question - especially > > Tristan: Chimerax (+ his attached script) > Michal, Scott: Theseus (https://theobald.brandeis.edu/theseus/) > Bernhard: Molmol (https://pubmed.ncbi.nlm.nih.gov/8744573/ ) > Rasmus CYRANGE (http://www.bpc.uni-frankfurt.de/cyrange.html) and > https://www.ccpn.ac.uk/ (of course…) > Andrew (uwmn - not sure if this is buildable on a modern box) > Smita: PyMol (not sure if I’m allowed to say that on ccp4bb…) > > or I could script it and use Gesamt or Superpose for the superposition if > I wanted to stay in the ccp4 universe and had the time to spare ;-) > > Harry > > ######################################################################## > > 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/ > > > ######################################################################## > > 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/ > > > > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > > > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > ######################################################################## 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/
