[ccp4bb]

2007-05-14 Thread Eleanor Dodson
I presume you tried P32 21 also? Pointless cannot distinguish the difference.. Refinement at 3A is tricky - you can overfit quite easily and maybe Rfree is correctly flagging that there are still errors. Can you see features which need rebuilding? Eleanor Emmanuel Prata wrote: Dear all, I

Re: [ccp4bb] Low resolution model building

2007-05-14 Thread Eleanor Dodson
I have used many methods to do this over the years, but now I would never consider using anything but the COOT interface. The NCS operators that COOT uses are based on the SSM (secondary structure matching) program written by Eugene Krissenel. You read in your coordinates into coot and it re

Re: [ccp4bb] Mol Rep in high symmetry spacegroups

2007-05-14 Thread Eleanor Dodson
High symmetry for me means F432 .. no particular problem in H32 And of course the more molecules to find in the asymmetric unit the more difficult it is.. But the general rule is Rotation function harder the higher the symmetry - more likely to have overlap between crystal symmetry and NCS Tr

[ccp4bb] Symposium in Honour of Louise Johnson, September 2007

2007-05-14 Thread David Barford
Announcement of a Symposium in honour of Professor Dame Louise Johnson, Oxford University, Sep 2nd to 5th 2007 Themes of the symposium will include protein structure, signal transduction, protein phosphorylation, the cell cycle, enzymatic mechanisms, synchrotron radiation, electron microscopy, dru

Re: [ccp4bb] Symposium in Honour of Louise Johnson, September 2007

2007-05-14 Thread Duke, EM (Liz)
Hi David, Do I have to register for the meeting as an invited speaker? Liz Dr. Liz Duke Principal Beamline Scientist Diamond Light Source Rutherford Appleton Laboratory Chilton OX11 0QX Tel 01235 778057 FAX 01235 778448 Mobile: 07920138148 -Original Message- From: CCP4 bulletin boar

[ccp4bb] Drug Target Crystallography and Structure Based Drug Discovery June 28-29 2007

2007-05-14 Thread Bernhard Rupp
Dear All: We have only a few more places left for the two day workshop on drug target crystallography and structure-based drug design to take place on June 28-29, 2007 in La Jolla, California. The workshop will be conducted jointly by Dr. Ruben Abagyan (Professor of Molecular Biology at The Scri

[ccp4bb] Group leader position at Max Planck Institute in Heidelberg

2007-05-14 Thread Ilme Schlichting
The Max Planck Institute for Medical Research has opening for an Independent Junior Research Group (Selbstständige Nachwuchsgruppe der Max-Planck-Gesellschaft). This offer includes, in addition to the group leader position, funding for a research group. While there is no explicit restriction on

[ccp4bb] Postdoctoral position. RNA crystallography

2007-05-14 Thread Alfonso Mondragon
A post-doctoral position is available to study the structure and function of large catalytic RNA molecules. The work is a combination of crystallographic, biochemical, and biophysical work and is focused primarily on understanding the structure and mechanism of RNase P. Strong previous experien

[ccp4bb] mixed cleavage states of RNA: not exactly multiple conformations

2007-05-14 Thread William Scott
I have a partially cleaved RNA, so I would like to try refining with two different dinucleotide segments embedded in the model, one of which has a broken backbone and 2',3'-cyclic phosphate, and the other with a standard phosphodiester backbone. This should be analogous to having two confor

[ccp4bb] intel Xeon vs AMD Opteron for crystallographic applications

2007-05-14 Thread Vineet Gaur
Hi all we r planning to upgrade hardware in the lab. just curious to know weather anybody has tested a dual core xeon vs dual core opteron for standard crystallographic applications. Also wanted to know weather programs compiled on a xeon will have problems executing on an opteron. regards vin

[ccp4bb] crystallographic magic

2007-05-14 Thread Tim Grune
Hi, I just found out that my magic file contains a large section with respect to crystallographic file formats. I was pretty impressed. According to the header it is attributed to Joe Krahn. Full ACK to him! Tim -- Tim Grune Australian Synchrotron 800 Blackburn Road Clayton, VIC 3168 Austral

Re: [ccp4bb] crystallographic magic

2007-05-14 Thread Tim Grune
The 'magic' file is the database the unix command 'file' uses to determine different fileformats. It is plain text and jsut describes the first couple of bytes of each file which are supposed to be enough to determine what type of file it is (e.g., a PNG-image, or an MTZ-file, or a CNS-map). ;-