Please try the pre-compiled linux binary (follow instructions in the Installation section of the cns website). Axel Brunger ... Axel T. Brunger Investigator,...
1895
Ed Pozharski
pozharski
Feb 14, 2010 7:15 am
Hmm... Is your Linux OS 64-bit or 32-bit? Did you compile your own binaries or used pre-compiled ones? On a side note, I highly recommend the parallel...
1896
AMIT
amitd_01
Feb 15, 2010 6:03 pm
The linux OS is a 64-bit one. CNS was compiled on the machine. We have Xeon dual core processors. I will download the mp version and install it now to solve...
1897
Ed Pozharski
pozharski
Feb 16, 2010 4:19 pm
Hope it works :) As for windows, I assume that you tried ms-dos binaries and they don't work? I always thought that CNS is the program which is not really ...
1898
Sanishvili, Ruslan
rsanishvili@...
Feb 24, 2010 3:52 pm
Dear Colleagues, Building on the success of the past 2 years, we are pleased to announce the third annual CCP4 workshop at Advanced Photon Source (APS),...
1899
Julie Fisher
j.fisher@...
Feb 25, 2010 11:36 am
Dear All We are using cns_solve 1.1 to structure generate from NMR parameters. We note during the annealing process the following message: %NOESET-ERR: error...
1900
Joe Krahn
joekrahn
Mar 7, 2010 5:52 pm
CNS currently does not allow restraints with non-matching residue names. It is easy to modify the source code to turn these from errors into just warnings, but...
1901
Joe Krahn
joekrahn
Mar 7, 2010 6:02 pm
CNS only allows the syntax: if ( <value> <op> <value> ) then It does not evaluate the condition as an expression. There are no logical operators to join...
1902
Joe Krahn
joekrahn
Mar 7, 2010 6:10 pm
I am working on a Cygwin Makefile for CNS. Cygwin is a POSIX emulation layer for Windows, with all of the basic tools available in Gnu/Linux. (See...
1903
Alan
alansilvae
Mar 16, 2010 6:29 pm
Hi, Can someone explain me why I have this error although it's doing what requested for CNS 1.21: CNSsolve> vector do (x=x+5*rand()) (all) %CNSsolve-ERR:...
1904
Ed Pozharski
pozharski
Mar 17, 2010 6:49 pm
I guess you have answered the question already. It must be the difference between CNS and X-plor. Check CNS website if vector is anywhere in the syntax...
1905
Sanishvili, Ruslan
rsanishvili@...
Mar 17, 2010 10:17 pm
This is just a reminder that the deadline for applications for the CCP4 school: From data collection to structure refinement and beyond, is April 9. A full...
1906
Christian Biertuempfel
cbiertue
Mar 31, 2010 4:32 pm
Dear all, Is there a way to assign different numbers of alternate conformations for refinement in cns? For example, residue 53 has two alternate conformations...
1907
Ed Pozharski
pozharski
Mar 31, 2010 5:13 pm
Try running alternate.inp twice - first time for double conformers, second for triple conformers using double conformer mtf/pdb as input. ... -- Edwin...
1908
Ed Pozharski
pozharski
Apr 1, 2010 2:08 pm
OK, it was worth a shot. Looking at the alternate.inp script, it first assigns new segid (AC1) to all the atoms you want and the adds alternate conformations....
1909
Christian Biertuempfel
cbiertue
Apr 5, 2010 5:38 am
Dear Ed, Thank you very much for your help. Your script did the trick. I have tried to modify alternate.inp to specify different numbers of alternate ...
1910
Justin Lecher
j.lecher@...
Apr 6, 2010 7:44 pm
Dear all, I am running a aria/cns run and getting weird coordinate ouputs: REMARK DATE:06-Apr-2010 17:00:01 created by user: justin REMARK VERSION:1.21 ...
1911
Axel Brunger
brunger@...
Apr 6, 2010 9:35 pm
This happens when the coordinate x,y,z exceed the limits of the allocated field, i.e.,x, y, or z > 9999.999. I suggest you translate your molecule(s) closer to...
1912
Sanishvili, Ruslan
rsanishvili@...
Apr 7, 2010 2:42 pm
Dear Colleagues, This is a third and final call for applications for the third annual CCP4 school: "From data collection to structure refinement and beyond" ...
1913
Christian Biertuempfel
cbiertue
Apr 13, 2010 1:11 pm
Hmm, if I run alternate twice I get 3 conformers for all residues which were used for the double conformations - not only for the ones selected in the second...
1914
Justin Lecher
j.lecher@...
Apr 13, 2010 1:14 pm
... That's clear, but more interesting is that cns calculates a model where the atoms are spread far apart: ATOM 14 CB ALA 2 -8.305 -14.055...
1915
Yuri Zherdev
byyaatch@...
Apr 25, 2010 6:44 pm
Greetings, I'm a new to Linux and CNS, so please be patient. I'm trying to install cns_solve_1.21 on Ubuntu 9.10 running on SunVirtualBox 3.1.6 r59338 running...
1916
Justin Lecher
j.lecher@...
Apr 26, 2010 9:08 am
... there are different types of shells in UNIX-(like) systems. The one you need is (t)csh. So before you source the cns installation just type "csh". then it...
1917
Moody, Peter C.E. (Dr.)
pcem1@...
Apr 26, 2010 9:21 am
I think that Ubuntu 9.x does not include csh as default, you will have to install it first (it caught me out too!) Peter Peter Moody 1/56 Henry Wellcome...
1918
Rajagopalan, Senapathy
srajagopalan@...
Apr 27, 2010 6:16 am
Hi Everyone, I am in the process of refining my protein's xtal structure and noticed that my Rfree increases 27.63->27.85 when I increase the number of...
1919
Ed Pozharski
pozharski
Apr 27, 2010 4:38 pm
Or you can use the attached bash-version of the cns_solve_env (make sure you edit it to specify correct value of CNS_SOLVE). As others mentioned, Ubuntu does...
1920
amitk.iit07
Apr 28, 2010 12:41 pm
How one will select and write into cns input file For example: I would like to select following residues for omission to calculate SA-omit map: "residue 10 to...
1921
Ed Pozharski
pozharski
Apr 28, 2010 1:36 pm
((residue 10:15 and segid A) or (residue 12:17 and segid B)) This is rather primitive and you should take a look at this first ...
1922
Ed Pozharski
pozharski
Apr 28, 2010 8:10 pm
You see, this is a different story. Your original question was something most people would simply ignore, as it is answered in the tutorial. Check the segids....
1923
Jirundon Yuvaniyama
scjyv@...
Apr 29, 2010 11:47 am
Dear Sirs, Question 1: I have two Cys residues from symmetry-related molecules forming a disulfide bond. How would I make a patch so that CNS takes into ...
