Putting an END at the end of my iodobenzene file did the trick for my last question.... So of course, now I have another, the default scatter.lib does not...
Hi all, I have an iodobezene ligand sitting in two conformations in a peptide which I have a structure. I have refined the structure (sans ligand) to just...
The deadline for applications for the NSLS's Summer 2003 cycle is the end of the NSLS working day (5PM EDT) on Friday 31 January 2003. There is also Rapid...
Does anyone have a clue about compiling CNS to run on a dual Intel machine running Linux ? I've tried several things and nothing seems to work. Thanks, Brad...
dear, I have collected data for cocosin at 3.5 ang, but there is no sequence for this protein. I did Mol.rep using seed storage proteins, but it did not help...
Hi All, I have found an error while running "generate.inp". The error message is given below. I exhort you to help me in fixing this. Regards Kiran ... ASSFIL:...
Dear structural(-ly interested) biologist ! HIC-Up, the Hetero-compound Information Centre - Uppsala, has been updated and now contains information on 3,941...
Hi Sorry this is not directly CNS related. Have any one come accross any program for calculating all the dihedral angles of a nucleotide ? Thanks Sunando --...
Dear All ! Sorry for this naive question, but .. I want to make a surface drawing of a porphyrin molecule interacting with a protein, coloured according to the...
Dear CNS users, Can CNS 1.0 or 1.1 handle disorder side chain refinement? I found the symbols conf_1, conf_2,... were defined in refine.inp, but never been...
Hi I am sorry that this mail is not directly related to cns. I am drawing a protein molecule using Molscript V2.1. I need to show the CA atoms by CPK mode. But...
... From: steve alam To: Mukherjee, Munia Sent: 1/9/2003 6:04 PM Subject: Re: [cnsbb] Cis X-Pro peptide bond. Munia, Here is what we do for cis-prolines in...
Hi All, I want to generate coordinate input file using "generate.inp". But in .mtf file it is not showing connectivity between carbohydrate and protein atoms...
Dear users, My NOE data confirms the presence of a cis X-Proline peptide bond in the protein that I am studying. However, when I try to calculate the structure...
Dear CNS users, I want to do a peptide link between a gamma-glutamate and normal alpha-aminoacid. We modified the protein.link file with link pept head -...
The deadline for applications for the NSLS's Summer 2003 cycle is the end of the NSLS working day (5PM EDT) on Friday 31 January 2003. There is also Rapid...
Hello all, I am having a trouble with CNS 1.1 with regard to memory. I'm trying to refine a 1000 residues protein with 8 molecules in the asu with NCS...
We are offering RapiData 2003, the fifth offering of our popular course: Rapid Data Collection and Structure Solving at the NSLS: A Practical Course in...
Hi, everyone, To get more accurate B-factor representation of certain metal atoms and their ligating waters, I chose to refine them in additional cycles after...
Hello all, I am writing some classes to deal with pdb files and I find myself pondering the difference between a chainid and a segid. A thread from the O...
Dear All, I have a 2.3A MR solution with four molecules per AU. After density modification by solvent flipping and density truncation, the resulting map was...
Hi, everyone, I wonder whether there is a way to generate a " *.cv " file with the same indices chosen as the " test " set from two "*.sca" file? I have...
Dear all, I am trying to calculate an average structure from an ensemble generated by CNS using the "accept.inp" script -- located under the nmr_calc...
hi all my molecule belongs to C222(1) sp. group. when i tried to run cns program for heavy atom(Se) search(MAD data), it stopped abruptly with an error message...
Dear All! i am refining a structure of protein with porhyrin derivative as ligand. if i put porphyrin as a separate segid - it refines and minimizes properly,...
Dear All! i am currently refining a structure of protein with porphyrin molecules. whenever i put porphyrin into generate.inp with HETATM card, the output...
Hi, After trying to compile xplor 3.8 (latest version) on a redhat 8.0/ athlon system i get the same error that the rest on the people who have posted. it...
Hi Sorry for the basic question. Can anyone enlighten me as to the Cheshire cells for P2 and P222? I've searched the usual places and can't find any listing....
hello, I have been trying to obtain the CNS program through their server. Since it didnot recognize the domain name of my email address it asked to send a fax...
