Re: [ccp4bb] units of the B factor

2009-11-20 Thread Christoph Best
On Thu, 19 Nov 2009 23:13:53 -0800, James Holton jmhol...@lbl.gov said: should we call it? I nominate the Born after Max Born who did so much fundamental and far-reaching work on the nature of disorder in crystal lattices. The unit then has the symbol B, which will make it

Re: [ccp4bb] units of the B factor

2009-11-20 Thread Frank von Delft
I second that... are there committees that ratify these things? phx James Holton wrote: Many textbooks describe the B factor as having units of square Angstrom (A^2), but then again, so does the mean square atomic displacement u^2, and B = 8*pi^2*u^2. This can become confusing if one

Re: [ccp4bb] units of the B factor

2009-11-20 Thread Marc SCHILTZ
Hi James, James Holton wrote: Many textbooks describe the B factor as having units of square Angstrom (A^2), but then again, so does the mean square atomic displacement u^2, and B = 8*pi^2*u^2. This can become confusing if one starts to look at derived units that have started to come out of

[ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] units of the B factor

2009-11-20 Thread Frank von Delft
Hi Marc Not at all, one uses units that are convenient. By your reasoning we should get rid of Å, atmospheres, AU, light years... They exist not to be obnoxious, but because they're handy for a large number of people in their specific situations. Sounds familiar... phx Marc SCHILTZ

Re: [ccp4bb] units of the B factor

2009-11-20 Thread Adam Ralph
I think that you should suggest a new unit of 10^(-11) m, a JHm perhaps. If it is convenient to have B in A^2 then u^2 should be in JHm^2. Adam On Thu, 19 Nov 2009, James Holton wrote: Many textbooks describe the B factor as having units of square Angstrom (A^2), but then again, so does

[ccp4bb] arp/warp failure on Debian testing

2009-11-20 Thread Tim Gruene
Hello, on two recently installed Linux boxes (PC, i7) with Debian testing (squeeze), arp warp classic does not run but produces the following log-file: --- 8 snip - #CCP4I VERSION CCP4Interface 2.0.5 #CCP4I SCRIPT LOG arp_warp #CCP4I DATE 20 Nov 2009

Re: [ccp4bb] units of the B factor

2009-11-20 Thread Ian Tickle
Hi James If we're going to sort out the units we need to get the terminology right too. The mean square atomic displacement already has a symbol U = u^2 (or to be precise Ueq as we're talking about isotropic displacements here), and u is conventionally not defined as the RMS displacement as you

Re: [ccp4bb] units of the B factor

2009-11-20 Thread mb1pja
Of course, for SI political correctness we should be using nm^2 anyway. This would add more confusion to a situation that most people don't worry about anyway. Pete On 20 Nov 2009, at 11:05, Ian Tickle wrote: Hi James If we're going to sort out the units we need to get the terminology

Re: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] units of the B factor

2009-11-20 Thread Marc SCHILTZ
Frank von Delft wrote: Hi Marc Not at all, one uses units that are convenient. By your reasoning we should get rid of Å, atmospheres, AU, light years... They exist not to be obnoxious, but because they're handy for a large number of people in their specific situations. Hi Frank, I think

[ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] units of the B factor

2009-11-20 Thread Frank von Delft
Eh? m and Å are related by the dimensionless quantity 10,000,000,000. Vive la révolution! Marc SCHILTZ wrote: Frank von Delft wrote: Hi Marc Not at all, one uses units that are convenient. By your reasoning we should get rid of Å, atmospheres, AU, light years... They exist not to be

Re: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] units of the B factor

2009-11-20 Thread Herman . Schreuder
But in this case you are no longer defining distances but some other arbitrary quantity, like vendors do when they convert a small computer speaker into a rockband PA by using PMPO instead of music power. Herman -Original Message- From: CCP4 bulletin board

[ccp4bb] Scientific programmer position at MRC LMB Cambridge UK

2009-11-20 Thread A Leslie
Scientific Programmer MRC Laboratory of Molecular Biology Cambridge £20,074 – £27,271 per annum A two year position is available for a programmer to continue the development of a new Graphical User Interface for a widely used program package to process X-ray diffraction data from crystals of

[ccp4bb] X-ray facility scientist at MRC LMB Cambridge, UK

2009-11-20 Thread A Leslie
X-Ray Facility Scientist MRC Laboratory of Molecular Biology Cambridge £26,022 - £31,758 per annum We wish to recruit an Investigator Scientist to join the MRC Laboratory of Molecular Biology X-ray facility in Cambridge, UK. You will provide support for a range of projects involving X-ray

Re: [ccp4bb] arp/warp failure on Debian testing

2009-11-20 Thread Anastassis Perrakis
Hi Tim, First, we do not have access to Debian squeeze so I am afraid I cant say much about it. The gui asks about the Wilson plot, and, when run as 'run and view com file' shows the script for mtzdump. The 'run and view command file' will not work with the way that ARP/ wARP Classic

Re: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] units of the B factor

2009-11-20 Thread Marc SCHILTZ
Yes, but Å is really only just tolerated. It has evaded the Guillotine - for the time being ;-) Frank von Delft wrote: Eh? m and Å are related by the dimensionless quantity 10,000,000,000. Vive la révolution! Marc SCHILTZ wrote: Frank von Delft wrote: Hi Marc Not at all, one uses

Re: [ccp4bb] ... docking question

2009-11-20 Thread Florian Nachon
On 19 Nov 2009, at 09:34, Anastassis Perrakis wrote: Dear all, I am risking life and limb here, and possibly wining a first row seat to 'Morten's Inferno' for modelers! I want a software that will do some docking of a flexible ligand to a rigid protein model. Consensus google search

Re: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] units of the B factor

2009-11-20 Thread Philippe DUMAS
What a funny pleasant piece of discussion ! Given any physical quantity Something, having any kind of dimension (even as awful as inches^2*gallons*pounds^-3) Would it exist any room for a discussion about the dimension of 2*Something ? And what about 1*Something ? Philippe Dumas

Re: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] {Spam?} Re: {Spam?} Re: [ccp4bb] units of the B factor

2009-11-20 Thread Gerard DVD Kleywegt
What a funny pleasant piece of discussion ! Given any physical quantity Something, having any kind of dimension (even as awful as inches^2*gallons*pounds^-3) Would it exist any room for a discussion about the dimension of 2*Something ? And what about 1*Something ? (1) You can always

[ccp4bb] Warren Fund update - more books - lower threshold

2009-11-20 Thread Bernhard Rupp
Dear All, Great news: The Publisher, Garland Science, has kindly offered up to 5 additional books, so I will lower the winning threshold to 100 tickets. That means we have already a second round winner (announced later on the web page) and all entries posted past 1925 PST on Nov 19 play

[ccp4bb] warning message: bound resonance

2009-11-20 Thread Julien Littérature
Hi, Since the newest upgrade of analysis, I get this warning message once in a while: Dimensions 1 and 3 are directly bound but resonance 7LysCd is already bound to 7LysHdb not 7LysHda Continue with assignement? I understand what it means and I'm ok with that. I'm wondering if there's a way to

Re: [ccp4bb] warning message: bound resonance

2009-11-20 Thread Gerard DVD Kleywegt
'Allo! 'Allo! I suspect that you are looking for the CCPN mailing list rather than the CCP4 one. You have just confused thousands of innocent crystallographers! --dvd On Fri, 20 Nov 2009, Julien Litt?rature wrote: Hi, Since the newest upgrade of analysis, I get this warning message once

Re: [ccp4bb] warning message: bound resonance

2009-11-20 Thread David J. Schuller
And a few guilty ones. - === You can't possibly be a scientist if you mind people thinking that you're a fool. - Wonko the Sane ===

[ccp4bb] Warren DeLano Memorial Fund - 2nd winner

2009-11-20 Thread Bernhard Rupp
Second Winner: Tara Davis, UCSC -congratulations! http://www.ruppweb.org/Garland/Warren_raffle.htm 77 to go for #3 I'll stop these annoying updates to the bb now - you can follow on twitter or face book using the Icons on my home page http://www.ruppweb.org/ Thx, BR

[ccp4bb] hairpin formation in gene

2009-11-20 Thread Sangeetha Vedula
Dear bb-ers, I am trying to have a gene synthesized and found out that it forms an 11-bp hairpin. Does that complicate expression? Would it be better to try and disrupt it by altering codon usage to improve expression? Thank you in advance, Sangeetha.

Re: [ccp4bb] units of the B factor

2009-11-20 Thread James Holton
No No No! This is not what I meant at all! I am not suggesting the creation of a new unit, but rather that we name a unit that is already in widespread use. This unit is A^2/(8*pi^2) which has dimensions of length^2 and it IS the unit of B factor. That is, every PDB file lists the B