Re: [ccp4bb] units of f0, f', f''

2010-02-28 Thread H. Raaijmakers
Maia, Usually we live in a macroscopic world and usually gravity is the most important force. In x-ray diffraction the charge/mass ratio is the most important paramater (and the density of that). Hans Maia Cherney schreef: Hi all, Usually density means mass divided by volume. The mass of an

Re: [ccp4bb] linux question

2010-02-28 Thread Tim Gruene
An alternative to VMWare is virtualbox (www.virtualbox.org) which is available for free for several operating systems. Tim On Sat, Feb 27, 2010 at 10:47:42PM -0500, Jim Fairman wrote: I think a good option would be to use VMWare Player to run a flavor of Linux within Windows

Re: [ccp4bb] linux question

2010-02-28 Thread Nadir . Mrabet
You may want to consider CD-bootable Puppy Linux (http://en.wikipedia.org/wiki/Puppy_Linux). HTH, Nadir -- Pr. Nadir T. Mrabet Structural Molecular Biochemistry INSERM U-954 UHP - Nancy 1, School of Medicine 54505 Vandoeuvre-les-Nancy Cedex France Tel : +33 (0)3.83.68.32.73 Fax : +33

Re: [ccp4bb] units of f0, f', f''

2010-02-28 Thread Ian Tickle
Yes, I think this is exactly the point. 'Electrons' gives the whole thing a consistent meaning. The big problem with statements like 'f = 10e' or 'rho = 1.5e/Å^3' is of course that they are dimensionally invalid, and I'm surprised that people are not doing such simple checks! For example

Re: [ccp4bb] units of f0, f', f''

2010-02-28 Thread Maia Cherney
Thanks, I was actually joking because I was a little annoyed about the discussion, but then I realized that this discussion is great, (now I will not forget the units of electron density) and it's still not resolved. You said the charge/mass ratio and the density of that, but other people

Re: [ccp4bb] units of f0, f', f''

2010-02-28 Thread James Holton
I suppose I could point out that the letter e has many more universal meanings that just denoting electric charge, such the base of the natural logarithm, the identity element in set theory, or even a musical note. But, today I found that e can also stand for eristic, a new word I learned

Re: [ccp4bb] units of f0, f', f''

2010-02-28 Thread Ian Tickle
What I meant of course was that the electronic charge (note: not the same thing at all as electric charge) is universally given the symbol 'e', but with e-mail being what it is one usually doesn't take the time to consider such logical niceties as whether 'A implies B' is equivalent to 'B

Re: [ccp4bb] linux question

2010-02-28 Thread Roger Rowlett
The simplest solution is to install your favorite linux distro in a virtual machine. I use Sun's VirtualBox to install Ubuntu on my WinXP machine. Performance is reasonable even in the virtual environment. I use VBox to test install CCP4 and other crystallography software in Ubuntu before

[ccp4bb] How to save LSQ output in coot

2010-02-28 Thread james09 pruza
Dear all, I just wonder, How to save the LSQ output in coot. Thanks in advance. J...

Re: [ccp4bb] How to save LSQ output in coot

2010-02-28 Thread Paul Emsley
james09 pruza wrote: Dear all, I just wonder, How to save the LSQ output in coot. It is not clear what you mean by output. The transformed coordinates can be saved with File - Save Coordinates... The rotation matrix in both orthogonal and fractional form is written to the terminal. Paul.

[ccp4bb] Senior Scientist position in structural biology/immunology with applications in T cell and NK cell receptor recognition of MHC class I and class II complexes in Stockholm, Sweden

2010-02-28 Thread Adnane Achour
Dear group members, I would like to bring to the following opening to your attention: ANNOUNCEMENT TITLE: Senior Scientist position in structural biology/immunology with applications in T cell and NK cell receptor recognition of MHC class I and class II complexes in Stockholm, Sweden DEADLINE

Re: [ccp4bb] Molrep error -

2010-02-28 Thread Chavas Leo
Dear Jon -- it looks to me that it is trying to open a file that does not exist because of the path name... I'm not an expert in MolRep, but you defined PATH_SCR and PATH_OUT with the same names; the problem might then be that it tried to open a file located in the PATH_SCR/ PATH_OUT...

Re: [ccp4bb] units of f0, f', f''

2010-02-28 Thread Gerard Bricogne
Dear all, Two slight confusions seem to have popped up intermittently in this thread, in messages other than those included here. The first one was related to the charge of the electron - even the colour code according to which its electron density should be displayed - and the other one to

Re: [ccp4bb] linux question

2010-02-28 Thread Francois Berenger
On 2/27/2010 10:10 PM, David Roberts wrote: I have a quick question about linux for all. Is there anybody running a windows pc with linux on a bootable cd or bootable drive/flash drive/??? that works for crystallography apps? I have a colleague who does molecular dynamics calculations and he

Re: [ccp4bb] linux question

2010-02-28 Thread Damon Colbert
I have a persistent Kubuntu 8.10 on a 16Gb flash drive, on which I have been running the likes of Coot, iMosflm and CCP4. I have used my setup to process two datasets via MolRep. There are plenty of resources on the internet telling you how to set it up. e.g http://www.pendrivelinux.com/

Re: [ccp4bb] linux question

2010-02-28 Thread William G. Scott
On Feb 28, 2010, at 5:11 PM, Damon Colbert wrote: I have a persistent Kubuntu 8.10 .. it took a week to work out some problems. The main one being that with limited space on the thumb drive, one cannot do a complete update of Kubuntu. Therefore many libraries are missing and dependancy

Re: [ccp4bb] linux question

2010-02-28 Thread William G. Scott
On Feb 27, 2010, at 7:10 PM, David Roberts wrote: I have a quick question about linux for all. Is there anybody running a windows pc with linux on a bootable cd or bootable drive/flash drive/??? that works for crystallography apps? I have a colleague who does molecular dynamics

Re: [ccp4bb] units of f0, f', f''

2010-02-28 Thread Dale Tronrud
Dear X-ray Community, I'm sorry to have dragged you all along on this journey. There is something to Ian and Marc's arguments but I have been unable to understand their point. That is my failure and I don't wish to subject the rest of you to continued argument. Ian, Marc, and I should get