Hello Jon, Wikipedia has plenty of information on the Debye-Waller factor: https://en.wikipedia.org/wiki/Debye%E2%80%93Waller_factor
Best, Tim On Thu, 27 May 2021 12:25:06 +0000 "Hughes, Jonathan" <jon.hug...@bot3.bio.uni-giessen.de> 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 <CCP4BB@JISCMAIL.AC.UK> Im Auftrag von > Pearce, N.M. (Nick) Gesendet: Donnerstag, 27. Mai 2021 12:38 > An: CCP4BB@JISCMAIL.AC.UK > 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 RMSF. Will change the scaling of > the tube radius considerably! > > Nick > > > On 27 May 2021, at 11:16, Harry Powell - CCP4BB > <0000193323b1e616-dmarc-requ...@jiscmail.ac.uk<mailto:0000193323b1e616-dmarc-requ...@jiscmail.ac.uk>> > 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 > <000019a0c5f649e5-dmarc-requ...@jiscmail.ac.uk<mailto:000019a0c5f649e5-dmarc-requ...@jiscmail.ac.uk>> > 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 > <0000193323b1e616-dmarc-requ...@jiscmail.ac.uk<mailto:0000193323b1e616-dmarc-requ...@jiscmail.ac.uk>> > 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<http://www.jiscmail.ac.uk/CCP4BB>, a > mailing list hosted by www.jiscmail.ac.uk<http://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<http://www.jiscmail.ac.uk/CCP4BB>, a > mailing list hosted by www.jiscmail.ac.uk<http://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 > > 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/ -- -- Tim Gruene Head of the Centre for X-ray Structure Analysis Faculty of Chemistry University of Vienna Phone: +43-1-4277-70202 GPG Key ID = A46BEE1A ######################################################################## 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/
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