Re: [ccp4bb] Series termination effect calculation.

2012-09-18 Thread Oliver Einsle
Hi there, I was just pointed to this thread and should comment on the discussion, as actually made the plots for this paper. James has clarified the issue much better than I could have, and indeed the calculations will fail for larger Bragg angles if you do not assume a reasonable B-factor (I used

[ccp4bb] REMINDER: 3 x Postdoctoral Research Fellow positions at the University of Sussex ( DNA Damage Repair and Signalling)

2012-09-18 Thread Antony Oliver
- - REMINDER - - IMMINENT CLOSING DATE: 28th September 2012 3 (Three) Cancer Research UK-funded Postdoctoral Research Fellow positions are available immediately in the laboratory of Professor Laurence Pearl FRS and Dr Antony Oliver, to study the structural basis for the assembly and specificity of

[ccp4bb] Rpim and how its related to anomalous signal

2012-09-18 Thread Vijayakumar.B
Dear CCP4BB users, I am very much interested to work in Anomalous scattering technique for macromolecular structure determination. I have already gone through some literature in which they have explained about a parameter called “*Rpim*”. I am little bit confused about *Rpim *values. Can anyon

[ccp4bb] Two postdoc positions with Dr Marek Brzozowski at YSBL York

2012-09-18 Thread Keith Wilson
1. SUBJECT: Postdoctoral Research Fellow in Structural Biology of Insulin Postdoctoral Research Fellow in Structural Biology of Insulin, Insulin - like Growth Factors. A postdoctoral position, funded by the Medical Research Council within an international Programme Grant: A molecular dissection

Re: [ccp4bb] Series termination effect calculation.

2012-09-18 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hello Oliver, when you fit the values from ICA Tab 6.1.1.1 with gnuplot, the values of C and N become much more comparable. c(C) = 0.017 and especially c(N) = 0.025 > 0!!! for C: Final set of parametersAsymptotic Standard Error ===

[ccp4bb] AW: [ccp4bb] Series termination effect calculation.

2012-09-18 Thread Oliver Einsle
Good point! With 9 parameters there must be a zillion combinations that produce a decent fit. But even if they are chosen to be similar they have no physical meaning, right? Cheers, Oliver. -Ursprüngliche Nachricht- Von: Tim Gruene [mailto:t...@shelx.uni-ac.gwdg.de] Gesendet: Dienstag

[ccp4bb] Help Please!

2012-09-18 Thread jie liu
Dear you all I really need your help. I was trying to install ccp4i Package Manager, and got an error saying "/lib64/tls/libc.so.6 version 'GLIBC-2.4' not found". The file '/lib64/tls/libc.so.6' was actually linked to 'libc-2.3.4.so'. I thought this one might be out of date. So I found a newe

Re: [ccp4bb] Help Please!

2012-09-18 Thread David Schuller
Those commands which do not work apparently require the version of libc that you replaced. If your description is accurate, you did not actually delete the file, but merely renamed it. You can boot up from your Linux (this is Linux, right?) installation disk in "RESCUE" mode and put the file b

Re: [ccp4bb] Help Please!

2012-09-18 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Jie Liu, libc is a very basic library and your Linux box is close to unusable without it or with the wrong version. Your computer would probably not boot anymore. - From what you describe, though, it should be simple to fix the problem. Find the

Re: [ccp4bb] Help Please!

2012-09-18 Thread Edward A. Berry
Not to worry- since you carefully preerved the original files, you can easlily recover. You just need to boot a live CD like DSL or fdora live (or maybe even Tom's Root Boot disk) to bring up a system that can mount your filesystem and allow you to undue the failed experiment. Recent fedora live

Re: [ccp4bb] Series termination effect calculation.

2012-09-18 Thread James Holton
That's really interesting! Since the fits then and now were both least-squares, I wonder how Cromer & Mann could have gotten it so far off? Looking at the residuals, I see that although that of nitrogen oscillates badly, even the worst outlier is still within 0.01 electrons of the Hartree-F