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...
525
Daniel John Rigden
daniel@...
Dec 5, 2002 3:21 pm
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....
526
Gerard DVD Kleywegt
gerard@...
Dec 5, 2002 3:42 pm
... all iucr journals (back to 1948 or so) are nowadays available on-line as pdf files. for acta a, see http://journals.iucr.org/a/journalhomepage.html ...
527
Daniel John Rigden
daniel@...
Dec 5, 2002 3:51 pm
Hi Thanks for the rapid responses. In fact, it's Hirshfield, 1968 http://journals.iucr.org/a/issues/1968/02/00/a05891/a05891.pdf that has the list. I hadn;t...
528
mattli2003 <mattli...
mattli2003
Dec 8, 2002 5:45 am
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...
529
Charles@...
Dec 8, 2002 3:34 pm
Hi-- ... You might try XPLOR-NIH from http://nmr.cit.nih.gov/xplor-nih/. This is based on xplor 3.851, so old scripts should work. It is available for...
530
mgphd2003 <mgphd20...
mgphd2003
Dec 9, 2002 3:19 pm
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...
531
mgphd2003 <mgphd20...
mgphd2003
Dec 9, 2002 8:15 pm
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,...
532
swamy
swamy@...
Dec 12, 2002 10:21 pm
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...
533
Amjad Farooq <amja...
amjadfarooq
Dec 18, 2002 4:22 pm
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...
534
lee sea
lhtibp@...
Dec 20, 2002 1:22 pm
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...
535
Gerard DVD Kleywegt
gerard@...
Dec 20, 2002 3:53 pm
... you can easily do this in DATAMAN with the RFree TRansfer command - see http://xray.bmc.uu.se/usf/dataman_man.html#S58 --gerard ...
536
Edward Berry
eaberry@...
Dec 20, 2002 5:40 pm
... If you have exactly the same reflections present in both files, you can simply use the "merge.inp" input to make a new file with test set from the old data...
537
Stroud James
stroudj@...
Dec 21, 2002 8:24 am
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...
538
B.L.
xtallogr
Dec 21, 2002 12:51 pm
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...
539
Gerard DVD Kleywegt
gerard@...
Dec 23, 2002 11:15 pm
... (1) yes; you supply one protomer and the actual molecules are generated by cns itself through application of the ncs operators (2) later, you apply the...
540
Joe Krahn
joekrahn
Dec 24, 2002 5:18 am
RCSB has decided to remove SEGID's from all incoming PDB files and kindly replace them with useless spaces, at the protest of many crystallographers. It makes...
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...
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...
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...
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...
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, ...
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...
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...
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 -...
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...
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...
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...
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...
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...
