Hello All, Has anyone used the new Itanium2 based workstations for crystallographic computing and/or bio-computing in general? If any of you have compared this...
569
Maneesh Yadav
yadavm@...
Feb 1, 2003 8:39 am
Hi all (again), sorry for posting so many questions.... I have recently had a lot of trouble refining a structure that I have been working on (a tetrameric...
568
Mukherjee, Munia
mumukher
Jan 31, 2003 6:53 pm
Hi all, I wanted to know the answer to the same problem, so kindly forward the answer to me as well. Thanks, Munia ... From: Yuqi Liu To: cnsbb Sent: 1/31/2003...
567
Yuqi Liu
liuyuqi01
Jan 31, 2003 4:57 pm
Hi everybody, I am a novice in structure calculation using CNS. I have some questions on the final energies of calculated NMR structures. I am working on a 23...
566
Maneesh Yadav
yadavm@...
Jan 30, 2003 11:34 pm
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...
565
Maneesh Yadav
yadavm@...
Jan 30, 2003 10:35 pm
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...
564
Robert Sweet
sweet@...
Jan 27, 2003 1:49 pm
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...
563
Kay Diederichs
kay.diederichs@...
Jan 24, 2003 3:31 pm
... Brad, I don't exactly understand what the problem is? - does the CNS program not run at all? If so, what's the error message? Is a core dump written? or -...
562
bradjordanar <brad...
bradjordanar
Jan 24, 2003 1:55 pm
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...
561
BASU
dhaksbala
Jan 22, 2003 11:13 pm
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...
560
K.A.Kulkarni
mahan_2001
Jan 21, 2003 12:55 pm
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:...
559
Gerard DVD Kleywegt
gerard@...
Jan 17, 2003 7:21 pm
Dear structural(-ly interested) biologist ! HIC-Up, the Hetero-compound Information Centre - Uppsala, has been updated and now contains information on 3,941...
558
Sunando
mbusun@...
Jan 17, 2003 6:34 am
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 --...
557
jstaylor@...
Jan 17, 2003 12:14 am
unsubscribe...
556
manisha goel
mgphd2003
Jan 15, 2003 2:42 pm
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...
555
Yen-Chywan Liaw
mbycliaw@...
Jan 14, 2003 5:30 am
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...
554
Sunando
mbusun@...
Jan 13, 2003 9:41 am
Dear Dr. Howard Thank you very much for your kind help. It worked. Sunando ... Date: Mon, 13 Jan 2003 07:56:44 +0000 From: Dr. Mark Howard...
553
Bostjan Kobe
b.kobe@...
Jan 13, 2003 7:48 am
Hi, Use "turn" instead of "coil". Not much you can do as far as I know on turns or helices, except making CA a big enough ball. The reason is the ribbon is...
552
Sunando
mbusun@...
Jan 13, 2003 7:17 am
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...
551
Mukherjee, Munia
mumukher
Jan 10, 2003 6:03 pm
... 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...
550
Jayasankar Jasti
cnsbbin
Jan 10, 2003 5:10 am
hi! there seems to be space before your segid " A" also.. the "carbo_patch" should be "B1N" if the sugar is linked to protein and "B14" (beta 1-4 linkage) if...
549
Mukherjee, Munia
mumukher
Jan 9, 2003 10:30 pm
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...
548
Claudine Mayer
mayer@...
Jan 8, 2003 9:26 pm
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 -...
547
Robert Sweet
sweet@...
Jan 8, 2003 6:23 pm
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...
546
ARNOUX Pascal
pascal.arnoux@...
Jan 8, 2003 9:07 am
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...
545
Q. Steven Xu
qian@...
Jan 7, 2003 4:52 pm
Dear all, The PDB deposition asks for the R factor, R work and R free values of the structure. The output from model_stats.inp gives only R work and R free, ...
544
Robert Sweet
sweet@...
Jan 6, 2003 7:01 pm
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...
543
K.A.Kulkarni
mahan_2001
Jan 3, 2003 10:23 am
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...
542
Poul Nissen
nissen@...
Jan 3, 2003 9:44 am
Hi Lee I don't think this is really worth the trouble, and certainly the data-to-parameter ratio has not really changed: the entire structure has been refined...
541
lee sea
lhtibp@...
Jan 2, 2003 4:38 pm
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...
