Grouped B-factor refinement doesn't work well because it is unrestrained in nature and allows for discontinuites in B-factors of covalently bonded atoms. Just...
1965
Rongjin Guan
ziweiguan
Aug 16, 2010 3:05 pm
Dear CNS users, I am refining a 3.1 A structure (from Molecular Replacement) with CNS 1.3, and after rigid-body and annealing, I wanted to do group B...
1964
Gerard DVD Kleywegt
gerard@...
Aug 12, 2010 9:44 am
The Protein Data Bank in Europe (PDBe; http://pdbe.org/) offers a number of educational resources as part of its wider mandate for outreach and training within...
1963
Abdul S. Ethayathulla
asethaya@...
Aug 10, 2010 9:48 am
hi I am refining a protein/DNA complex. I have 4 dimers. I want to define one dimer as a NCS unit. I have labelled each molecule in the dimer with different...
1962
Gerard DVD Kleywegt
gerard@...
Aug 5, 2010 3:45 pm
As part of the recent Midsummer Make-over of the Protein Data Bank in Europe (PDBe) website, we acquired the domain name pdbe.org and have used it to implement...
1961
Gerard DVD Kleywegt
gerard@...
Jul 29, 2010 11:08 am
As part of the recent Midsummer Make-over of the Protein Data Bank in Europe website (PDBe; http://pdbe.org/), we introduced a new Wizard tool. The purpose of...
1960
Axel Brunger
brunger@...
Jul 22, 2010 9:29 pm
================================================================== Announcing version 1.3 (general release) of the software: Crystallography & NMR System (CNS)...
1959
Gerard DVD Kleywegt
gerard@...
Jul 22, 2010 2:06 pm
There is an EMBL Interdisciplinary Post-doc ("EIPOD") position available to work on the validation of low-resolution structural models obtained from ...
1958
Gerard DVD Kleywegt
gerard@...
Jul 22, 2010 1:34 pm
Introducing one-click access to PDB data at PDBe ... When you visit the newly redesigned home page of the Protein Data Bank in Europe (PDBe; http://pdbe.org/),...
1957
Ed Pozharski
pozharski
Jul 20, 2010 2:32 pm
You should take a look at igroup statement. Search for "symmetry operation" here http://cns.csb.yale.edu/v1.2/faq/frame.html Some information there may lead...
1956
Boaz Shaanan
boaz_shaanan
Jul 20, 2010 10:00 am
Hi, I hope I understand your question correctly. I'm not sure that application of any patches to the program is necessary. If you want to restrain the...
1955
Manuel Than
than@...
Jul 19, 2010 3:47 pm
Dear all, we are refining a structure that contains several crystal contacts formed by metal ions that bridge the molecule in the assymmetric unit to ...
1954
Gerard DVD Kleywegt
gerard@...
Jul 15, 2010 12:26 pm
We are pleased to announce the 2010 Cryo-EM Modeling challenge and a PSB 2011 workshop, organized by Steven Ludtke, Wah Chiu, Helen Berman and Gerard Kleywegt....
1953
Gerard DVD Kleywegt
gerard@...
Jul 15, 2010 11:02 am
If you were born before the Dutch lost their first World Cup final, you may remember the days when "everybody" knew that PDB entry 1tim was the structure of...
1952
Axel Brunger
brunger@...
Jul 9, 2010 3:25 pm
I plan to release CNS v1.3 shortly (1-2 weeks). Axel ... Axel T. Brunger Investigator, Howard Hughes Medical Institute Professor of Molecular and Cellular...
1951
Alan
alansilvae
Jul 9, 2010 1:13 pm
Hi there, Can someone tell more or point to what's about CNS 1.3? Thanks, Alan -- Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate Department of...
1950
Mandar T. Naik
mantrinaik
Jul 9, 2010 1:12 pm
Hi, You may try the CCPN FormatConverter. -mandar...
1949
Krisztina Varga
aquaticus100
Jul 9, 2010 8:42 am
Hi, I would like to use CNS for structural calculations, and I am very much a novice. I have problem getting my files (NMR assignments) in the right format for...
1948
Gerard DVD Kleywegt
gerard@...
Jul 7, 2010 9:25 pm
Traditionally, the Protein Data Bank (PDB) has been accessed mostly by PDB accession code, or by searches based on information regarding, for instance, a ...
1947
rajabrata_bioinfo
rajabrata_bi...
Jul 7, 2010 6:28 am
I am using Red hat Linux 5 and Fedora. I am trying to install CNS since last one year. My problem is I am trying "cns_solve_1.21". But can't proceed at all. I...
1946
Christian Biertuempfel
cbiertue
Jul 7, 2010 6:28 am
Hi, I suspect that something went wrong when you generated files for cns. You could check your pdb and mtf files in a text editor. I find it easier to keep...
1945
Ed Pozharski
pozharski
Jul 6, 2010 2:36 pm
Why don't you try generating duplex DNA in coot and then reading it into CNS? ... -- Edwin Pozharski, PhD, Assistant Professor University of Maryland,...
Hi, I have the some problem about creating two DNA sequence. I want to generate the sequece of DNA duplex. And then create the extended structure. Finally use...
1943
Gerard DVD Kleywegt
gerard@...
Jul 1, 2010 12:49 pm
PDBe launches its redesigned website (pdbe.org) ... The Protein Data Bank in Europe (PDBe; http://pdbe.org) has launched its redesigned website with lots of...
1942
Boaz Shaanan
boaz_shaanan
Jun 30, 2010 8:48 am
Hi, Did you generate the topology and parameter files for the acetylated lysine ? It's not clear from your message. If not, you should go to the prodrg site: ...
1941
Vo Cam Quy
quyviolet
Jun 30, 2010 7:31 am
Dear experts I have two NMR structures of a same protein, in position 50, one with a Lysine (protein X) and the other with Acetylated Lysine (protein Y). I...
1940
Gerard DVD Kleywegt
gerard@...
Jun 16, 2010 4:50 pm
The Protein Data Bank in Europe has *three* openings for software engineers or scientific programmers (one-year contracts): (1) The PDBe Team has an opening...
1939
pryankpatel
Jun 10, 2010 6:29 am
Hi all, Thanks to everybody who has contributed over the past couple of days on the various bulletin boards I have posted to. As is always the case, the...
1938
pryankpatel
Jun 7, 2010 2:51 pm
Hi All,As a follow-up, I forgot to mention in my previous email message on this subject that I have also attempted to compile cns_solve 1.21, with aria 2.3...
1937
pryankpatel
Jun 6, 2010 8:52 pm
Hi All,Firstly, sincere apologies if this question has been asked and answered before, but I am looking for some clarification. I have recently acquired a Mac,...
