Hi, I have a quite complex NCS definition ( more than 30 restraints). When I tried to do a b_individual refinement. The calculated RWEIGHT is 0 and CNS just...
1512
iain_d_kerr
Dec 7, 2006 12:50 am
Is there a reason CNS would delete residues that I just built into my structure with COOT ? They are still there after running generate but after running...
1513
Mark A. White
white@...
Dec 7, 2006 5:11 pm
Ian, Are you sure that you are using the new generate.psf file? Note: COOT does not create the SEGID entry of the chain you are building. I always run the...
1514
iain_d_kerr
Dec 7, 2006 5:42 pm
Ah, in case no one knows apparently it is important to use the correct mtf file ;-) I had checked everything but because up till now it has had the same...
1515
Robert Sweet
sweet@...
Dec 18, 2006 3:27 pm
We are offering RapiData 2007, the eighth offering of our popular course: Rapid Data Collection and Structure Solving at the NSLS: A Practical Course in...
1516
Gerard DVD Kleywegt
gerard@...
Dec 21, 2006 3:35 am
... you have to ask yourself if you really, really, really want to do that. and if the answer is 'yes' you have to ask yourself again the reason is that the...
1517
Xiongying Tu
xiongyingtu
Dec 23, 2006 3:30 pm
Does anybody know how to include phi/psi dihedral restraints to minimization or torsion annealing in CNS? Many Thanks ...
1518
Sampu
mtpai71
Dec 30, 2006 8:41 pm
Hi, I got a message when I was tryingto install the CNS. "the architecture of the machine is unknown - CNS_ARCH=unknown-x86_64- Linux aborting installation" ...
1519
Robert Sweet
sweet@...
Jan 4, 2007 8:44 pm
We are offering RapiData 2007, the eighth offering of our popular course: Rapid Data Collection and Structure Solving at the NSLS: A Practical Course in...
1520
jay.xtalman
Jan 5, 2007 7:05 am
Hi Everyone, I'm having some problems running the density modification script after sad phasing. The error I get is as follows: XSCALE: total number of data...
1521
Winfried Meining
wmeining
Jan 5, 2007 11:25 am
We would like to announce the availability of a new large crystallization database of biological macromolecules (BDP), accessible at http://www.xtalbase.net ...
1522
Chris Waddling
cawaddling
Jan 6, 2007 2:50 pm
Has anyone encountered, and solved, this problem? Running water_pick.inp, my Linux and Mac versions of CNS get to the peak pick routine, but only the Mac...
1523
Mark A. White
white@...
Jan 8, 2007 6:01 pm
Chris, The problem comes from a change in the dynamic memory allocation values returned in later versions of Linux. Joe Krahn posted this fix a few years ago...
1524
nsadow0006
Jan 10, 2007 6:11 am
I am trying to use the refine script in cns. I want to do a torsional refinement with antibiotics, protein and rna. I noticed that there is a torsion_mod...
1525
nsadow0006
Jan 10, 2007 6:14 am
I am trying to refine an rna helix first by using rigid body refinement. I have noticed that even if I manually adjust the helix (to fit an f0-fo difference...
1526
iain_d_kerr
Jan 17, 2007 10:28 pm
I have been using CNS to refine against a set of data that arise from anisotropic diffraction (dmin=2.3A). The data are from a ligand complex that was...
1527
Mark A. White
white@...
Jan 17, 2007 10:47 pm
Ian, ... Absolutely! Use all your data, even if the Rfree is higher. We routinely use all data to >1 sigma for refinement and it definitely improves the...
1528
Raji Edayathumangalam
raji77
Jan 17, 2007 11:26 pm
Here's something to take a look at for anisotropic diffraction, if you haven't used it already. http://www.doe-mbi.ucla.edu/~sawaya/anisoscale/ Also, I am not...
1529
mortonclan_cjm
Jan 19, 2007 8:11 am
Hi, just tried compiling the newly released CNS 1.2 and run in to a problem in xstats.f. I'm on a Linux box under RedHat WS4 using g77. The error reported is...
1530
Axel Brunger
brunger@...
Jan 19, 2007 9:12 am
================================================================== Announcing version 1.2 (general release) of the software: Crystallography & NMR System...
1531
Tru Huynh
tru@...
Jan 19, 2007 3:43 pm
... same error on CentOS-3/g77 fix: swap the lines 453 and 454 in source/xstats.f diff -uNr xstats.f.ori xstats.f ... +++ xstats.f 2007-01-19...
1532
Tru Huynh
tru@...
Jan 19, 2007 4:20 pm
... <...> but it won't run: %ALLHP error encountered: out of INTEGER range (CNS is in mode: SET ABORT=NORMal END) ...
1533
Brian Smith
brian_o_smith
Jan 19, 2007 5:33 pm
Fantastic to see active development of CNS ongoing with the new release. There was discussion a little while ago of how the community might support CNS...
1534
Kay Diederichs
kay.diederichs@...
Jan 19, 2007 10:21 pm
OpenMP parallelization of CNS 1.2 ================================= I have worked out how to efficiently parallelize CNS. To use this, you'll have to patch the...
1535
Zhiyong Lou
louzy@...
Jan 20, 2007 7:10 am
Dear all, I have met some problem when compiling CNS1.2. When compiling with g77install in RH9, it showed the following error message: compiling: xstats.f ...
1536
Axel Brunger
brunger@...
Jan 20, 2007 9:27 pm
This compiler complains about the use of NNSELE in the declaration of VSTACK, before it is declared. I've changed the code to fix the problem. The tar...
1537
Mei-I Su
msu@...
Jan 22, 2007 1:28 pm
Dear all: I am not sure whether I am the only one encountering this problem. When I tried to use the input files from CNS 1.2 website (I tried generate.inp so...
1538
Joe Krahn
joekrahn
Jan 22, 2007 3:02 pm
You have environment variables set up to use library files from version 1.1. So, your input file may be 1.2, but it is loading files from $CNS_TOPPAR, etc.,...
1539
devnull73122
Jan 22, 2007 5:52 pm
I am trying to compile cns solve 1.2 on a SuSE 10 Pro. There appears to be an issue with the make file, as I first tried with the bash shell and had problems...
1540
Chris Waddling
cawaddling
Jan 22, 2007 11:51 pm
Horror of horrors, we're still using SGI's! Has anyone run into this compiling CNS 1.2 under IRIX6.5 on an Octane? This ... That's all the info I get. Sorry...
