[ccp4bb] acetylated methionine

2013-09-20 Thread Ursula Schulze-Gahmen
I am trying to include a N-terminal acetylated methionine in my model. I replaced my methionine with a AME residue from the pdb data bank and included a link command to connect the C from AME with the N of the second residue. The AME is defined as HETATM. When I try to regularize this structure in

Re: [ccp4bb] Code to handle the syntax of (mm)CIF data correctly.

2013-09-20 Thread Peter Keller
On Fri, 2013-09-20 at 17:30 +0100, Marcin Wojdyr wrote: > On Fri, Sep 20, 2013 at 11:51:57AM +0100, Peter Keller wrote: > > > The STAR grammar in chapter 2.1 is the accurate one. If you look at page > > 18, you will see that the productions for quoted text strings are > > completely different from

Re: [ccp4bb] Code to handle the syntax of (mm)CIF data correctly.

2013-09-20 Thread Marcin Wojdyr
On Fri, Sep 20, 2013 at 11:51:57AM +0100, Peter Keller wrote: > The STAR grammar in chapter 2.1 is the accurate one. If you look at page > 18, you will see that the productions for quoted text strings are > completely different from the ones in chapter 2.2. Different, but look equivalent to me. B

[ccp4bb] Is anyone interested in sponsoring a Master’s student research in the US

2013-09-20 Thread Zhang, Zhen
Hi All, Sorry for the non-CCP4 issue. A student I am mentoring asked me for a favor to post this information. A German master student is looking for a research opportunity for half a year in the US. He has experience with chromatography and has some research work at Roche. Please either email

Re: [ccp4bb] Docking models into low-res SAD map

2013-09-20 Thread Anindito Sen
Hi Folmer, As I said- " I think its not free any more" is indicative that I am not sure of its status. In addition to that I do not use Pymol "much". Thanks for the correction. Best Dr. Anindito Sen (Ph.D) Department of Cell Biology & Anatomy Graduate School of Medicine University of Tok

Re: [ccp4bb] Docking models into low-res SAD map

2013-09-20 Thread Folmer Fredslund
Hi Anindito Sen 2013/9/20 Anindito Sen > > > . You can also use Pymol (but I think thats not free any more??). > > > > I do not know what your definition of "free" is, but PyMOL is an open-source project. You can download the code from http://sourceforge.net/projects/pymol/ To me, that mean

Re: [ccp4bb] Code to handle the syntax of (mm)CIF data correctly.

2013-09-20 Thread Peter Keller
On Thu, 2013-09-19 at 18:00 +0100, Marcin Wojdyr wrote: > On Thu, Sep 19, 2013 at 04:38:12PM +0100, Peter Keller wrote: > > > > > > > If there are discrepancies between IUCR website and IT vol.G and it would > > > be worth to list them. > > > > It is not a matter of discrepancies: they are rathe

Re: [ccp4bb] Docking models into low-res SAD map

2013-09-20 Thread Anindito Sen
Hi Oliver, Use CHIMERA- http://www.cgl.ucsf.edu/chimera/ There are video tutorials for docking- http://www.cgl.ucsf.edu/chimera/videodoc/videodoc.html This is a very good package. While I have used Situs colores, I find this package more versatile and useful. You can also use Pymol (but I thi

[ccp4bb] Post-doctoral position at Diamond Light Source in Experimental Phasing

2013-09-20 Thread Graeme Winter
Dear All, For anyone out there with an interest in methods development for experimental phasing we would like to draw your attention to a post-doctoral position currently available at Diamond Light Source: http://www.diamond.ac.uk/Home/Jobs/Current/DIA0868_SB.html This position is in collaborati

Re: [ccp4bb] Docking models into low-res SAD map

2013-09-20 Thread Randy Read
When we have needed to do something like this, the following procedure has worked pretty well for us: 1. Define the volume containing the density into which a model should be docked (most easily as atoms in a PDB file specifying the centres of spheres), then get structure factors corresponding

[ccp4bb] postdoc position at the University of Geneva

2013-09-20 Thread oscar
Dear All, A postdoc position at the University of Geneva to work on lipid kinases is available starting from the 1st of January 2014. We are seeking a highly motivated and independent postdoc to untangle the regulation of PI3Ks lipid kinases using a multidisciplinary approach based on struct

[ccp4bb] 2 Research Associate positions at the Membrane Protein Lab, Oxfordshire

2013-09-20 Thread Konstantinos Beis
Dear All, Two Research Associate positions have become available in the laboratory for crystallisation and crystallographic studies on mammalian transporter in the Membrane Protein Crystallography Laboratory at the Research Complex in Harwell (RCaH) near Didcot, Oxfordshire. The laboratory is h