Dear CNS users: I am trying to refine my protein in CNS v.1.1. The current R factor is 24.5 % without adding any solvent molecules. The structure I am refining...
Dear Colleague, We would like to inform you that the 3Dsig Structural Bioinformatics Meeting (July 29-30 July 2004, Glasgow, Scotland, UK, part of the...
Dear Richard, Pl. see my response to the BB a while ago. http://vivaldi.bio.bnl.gov/asda/bb/archive/cnsbb/cnsbb.200311/0472.html To answer your question, the...
Dear CNS experts, I have a query regarding alternate conformations. I have a nucleotide cofactor which appears to show two conformations. In one of these...
Scientist-Molecular Biology I am assisting to recruit a Molecular Biologist for a company in Durham, NC. Below is the full job description for your review....
Hi folks, So I've got this new box that I'm a little inexperienced at running. I'm trying to install (among other things) CNS but unfortunately I've not been...
Hi Karen, When one gets this error, it's often something in the input file that's been messed up. For e.g., a semi-colon or quotation mark is missing etc. or...
Hi Everyone, I am just beginning refinement and I've run into an error while trying to generate the initial statistics for my starting model. I'm following...
Hi Folks: The latest g77 v 3.4.0 compiler upgrade cured some previous issues with the compiler seg faulting on some CNS programs during compilation. Previously...
I'm running CNS 1.1 on a variety of computing platforms, and only on my DEC Alpha Linux machines do I see the following behavior. If I am generating a large...
Cellular Pharmacologist - Senior Research Associate An excellent full-time opportunity currently exists with a company in San Diego, CA in their Department of...
Hello Folks, I've been working on the refinement of the protein that contains an mu-diiron-oxo center. The CNS-suite does not contain the SCATter constant for...
Hi all I am trying to find the geometry weight from "optimize_wa.inp". I do have a protein-ligand complex. After few cycles of refinement, the program hangs by...
Thanks to everybody for the suggestions on how to deal with exponential terms when converting file.hkl to file.mtz format. Here is a summary of responses and ...
Hi all: I am trying to change a cns.cv file to mtz. I've done it multiple times with no problems but this time I have a data set in which a couple of...
Hi Alex, Sorry, I am not going to offer you a straightforward solution. But I had exactly the same problem a few months ago. Both f2mtz and sftools complained...
Hallo, thanks to all for the help with the psf file of sulfotyrosine. Now I have a question not connected to cns. Does anybody know the extinction coefficient...
Hi, everyone! Several weeks ago, I get a solve from a native x-ray data of a protein using amore though the search model protein shows low similarity...
Hello CNS/Xplor users, I have been using CNS to calculate structures for several years now and I am trying to switch platforms from windows (shudder) over to ...
Dear all, I have been using CNS a lot in crystallography but not for MD. I wonder if anyone could help me with this. I have a structure and I would like to run...
Dear all, I have a dataset with selenium atoms to 2.6 A resolution (6 Se atoms detected by mass spectrometry for 354 residues). The data were treated with...
Dear All, I am trying to fit TFE, in my protein using CNS. However , when I am minimizing I get the following error: %XRASSOC-ERR: missing SCATter definition...
Hi folks, I thought I was doing so well but now I'm stumped. I am running generate.inp to test patches I have set up for an unusual ligand. it all goes well...
Hi folks, Err I have managed to fix my previous problem....I was miising a few lines on the bottom of my inp file! Sorry for clooging up the board Joel -- Joel...
Hello All, I have been looking at numerous packages all day and I am trying to figure out which one would be best for a very simple exercise. Namely, I would...
Hi my name is arangs.i am new to this group.recently joined.this group is very nice.I have one doubt in NMR.I need to calculate the average pdb file for...
2nd Announcement to STRUCTURAL BIOINFORMATICS (3D SIG) 29-30 July 2004, Glasgow UK (immediately preceding ISMB/ECCB 2004) A 2-day innovative, stimulating...
Dear CNS users, I have a problem in connecting methyl group of small compound with the sulfide in Cys residue of my protein. How should I do making script in...
Below are details of a postdoctoral position in my lab to determine protein NMR structures of relevance to developmental signalling. The environment: The...
