Re: [ccp4bb] loggraph not popping up after refmac5 ccp4-6.4

2014-04-02 Thread Yong Tang
Hello All, Further to my earlier email..I am running ccp4 6.4 , on 64 bit Redhat Linux 6.5 I cannot see loggraphs with View-Files-From-Job - View Log Graphs-- That throws an error in the shell. This is the same error I see when coot finishes refmac5 as well. It seems that the loggraph tcl scrip

[ccp4bb] loggraph not popping up after refmac5 ccp4-6.4

2014-04-02 Thread Yong Tang
Hi , I have just switched to a new computer with ccp4 6.4 and binary coot installed from Paul Emsleys nightlies. When I run refmac5 inside coot or run refmac5 inside ccp4, the loggraph does not pop-up at the end of a refmac run. I looked everywhere in settings inside ccp4i or inside coot and coul

Re: [ccp4bb] install coot in mac through fink

2014-04-02 Thread William G. Scott
I’m not sure what went wrong, but I have reindexed everything at my end and tested it with this command: sudo apt-get --reinstall install gcc48-shlibs You might want to delete the file /sw/var/cache/apt/archives/gcc48-shlibs_4.8.2-1001_darwin-x86%5f64.deb first in case the download became cor

[ccp4bb] install coot in mac through fink

2014-04-02 Thread Yamei Yu
Hi All I'm trying to install a coot for my new Mac. I followed the instructions from http://scottlab.ucsc.edu/~wgscott/xtal/wiki/index.php/Fink_for_10.9 when I execute the command :sudo apt-get install coot I got two errors: Get:23 http://psbmini.ucsc.edu stable/main gcc48-shlibs 4.8.2-1001 [33.0M

Re: [ccp4bb] Structure factor equation

2014-04-02 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hi Bernhard, I may not know what students know as vectors. I was told at school that the elements of a vector space are called vectors, and this was actually repeated at university. Later I realised that when you consider e.g. coordinate triplets as v

Re: [ccp4bb] Structure factor equation

2014-04-02 Thread Bernhard Rupp
Now we are drilling down to the real issue (thanks, Alexei, with whom I had almost the same discussion off board earlier): The fact is (and here I follow in some form Ian's line of argument) that geometric vectors in R2 and R3 have properties beyond the axiomatic definition of a vector space. Ala

Re: [ccp4bb] Structure factor equation

2014-04-02 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Ian, I don't see the problem because I did not substitute 'scalar' for 'complex number'. I prefer a more practical approach, so when it is helpful to describe a problem by using the vector space (C, +), I shall do so, and in this context I shall

Re: [ccp4bb] Structure factor equation

2014-04-02 Thread Ian Tickle
On 2 April 2014 13:39, Ian Tickle wrote: > scalar satisfies other axioms (e.g. multiplication & addition) that a > vector doesn't. Sorry typo: A scalar satisfies other axioms (e.g. multiplication & _division_) that a vector doesn't. I.

Re: [ccp4bb] Structure factor equation

2014-04-02 Thread Ian Tickle
On 2 April 2014 12:49, Tim Gruene wrote: > P.S.: complex numbers together with the operation '+' defined in the > canonical way fulfill the axioms of a vector space, hence complex > number are vectors. If you also take the operation '*' into account, > defined in the canonical way, (C, +, *) fulf

Re: [ccp4bb] Structure factor equation

2014-04-02 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Bernhard, I don't need to because the vector product is not a requirement for a vector space. It is something very specific to R^3, i.e. in most vector spaces you would have trouble defining a vector product - do you know the angle between two po

Re: [ccp4bb] Structure factor equation

2014-04-02 Thread Bernhard Rupp
>complex numbers together with the operation '+' defined in the canonical way fulfill the axioms of a vector space, hence complex number are vectors. Axiomatically yes but could you please define the vector products for complex numbers? Thx, BR

Re: [ccp4bb] Structure factor equation

2014-04-02 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hi Ed, your explanation E = rho(r)exp(2pi i (wt - r.S)) is nearly correct, as Blundell and Johnson are nearly correct. In Physics any function f(x,y,z,t) depending on three coordinates and time that can be expressed such that f(x,y,z,t) = f(\vec k.\ve

[ccp4bb] X-ray equipment available

2014-04-02 Thread Kamel El Omari
Dear all, We have the following X-ray equipment available: 1) Rigaku ‘micromax 007’ X-ray generator with Varimax HR osmic mirror, radiation enclosure and interlocks 2) Mar345 imaging plate detector 3) Oxford Cryosystems cryostream ‘600 series’ including dry air unit ‘AD41’ and 60L dewar 4) Prot

Re: [ccp4bb] Phosphorylated and un-phosphorylated protein structures

2014-04-02 Thread Jerome Nwachukwu
Hi, See PMID: 23142346, especially supplementary table 1c. Best, -jerome Sent from my iPad > On Apr 2, 2014, at 6:17 AM, "Wenhe" wrote: > > Wenhe

[ccp4bb] Phosphorylated and un-phosphorylated protein structures

2014-04-02 Thread Wenhe
Dear members, Does anyone have an example of a pair of protein structures in phosphorylated (natural phosphorylation and mutation mimic) and un-phosphorylated states? —— particularly they have distinct conformational difference. Thank you. Kind regards, Wenhe

Re: [ccp4bb] Structure factor equation

2014-04-02 Thread Petr Leiman
The actual "wave term" A/(R-r) * exp(i 2Pi (kR - vt)) - where R is a vector from the origin of a chosen coordinate system to the detector, r is a vector from from the origin to the electron, k is a wave vector of the scattered wave, and A is a vector proportional to the E vector of the incident

[ccp4bb] Assistant Researcher Position in Membrane Protein Structural Biology available at Lund University, Sweden.

2014-04-02 Thread Pontus Gourdon
Assistant Researcher Position in Membrane Protein Structural Biology available at Lund University, Sweden. Type of employment: Limit of tenure, 1 year with possible extension for 1 year Extent: 100 % Location: Department of Experimental Medical Science, Lund University, Sweden First day of employ

[ccp4bb] AW: [ccp4bb] AW: [ccp4bb] Space group problem?

2014-04-02 Thread Herman . Schreuder
Dear Nazia, My first suggestion would be to take your crystals to a synchrotron. With the same crystals, you may get a precious 0.5 Å resolution more. Concerning the processing, I agree with Jürgen that the beam center is the most frequent culprit. The second thing to do is to make sure that you