Dear ALL: Â Â Â Â I got a problem to run density modification in CNS. Â Â Â Â Â Would you give me some troubleshooting? Â Â Â Â Â Â Â The following is what...
It's impossible to say what exactly went wrong - please post the define() part of your density_modify.inp - apparently one or more selections are malformed. ...
1834
Xie Jiabao
xie.jiabao@...
Aug 3, 2009 5:39 am
Dear all, I am trying to carry out simulated annealing, energy minimization and Bfactor refinement of my model using refine.inp in cns1.21. The protein model...
1835
Axel Brunger
brunger@...
Aug 3, 2009 1:37 pm
Please try one of the pre-compiled CNS binaries for linux or Mac OS X. The fact that the program is stuck without error message may be due to some compiler ...
Is it stuck or it just quits (try "ps -Af | grep cns_solve" to see if cns_solve is still running). If it quits, it may be related to the stacksize limitation,...
1837
Jack Tanner
tannerjj@...
Aug 3, 2009 3:15 pm
I wanted to let everyone know that there appears to be a typo in difference_distance.inp for v1.1 and v1.2. The following lines evaluate...
1838
Axel Brunger
brunger@...
Aug 3, 2009 3:23 pm
Thanks! I'll fix this in the next release. Axel Brunger ... Axel T. Brunger Investigator, Howard Hughes Medical Institute Professor of Molecular and Cellular...
Hello  I am a research scholar but i dont have academic ID and i want to install the CNS suite to my system, how can i get the license in absence of academic...
Dear all, I'm facing problem in model_stats step . I 'm working with protein kinase what is the format that we need to give in cns/inputs edit+help, what are...
1841
bschmidt@...
Sep 29, 2009 7:04 pm
Hello all, I am trying to make a composite-SA-omit map. My space group is P21221, and I specify that in my .inp file. However, when I try to run the job, it...
1842
Phil Jeffrey
pjeffrey@...
Sep 30, 2009 1:59 am
Bryan, CNS holds the space group information in the file: $CNS_XTALLIB/spacegroup.lib which on my system is: ...
1843
Lukacs, Christine
christine.lukacs@...
Oct 1, 2009 2:31 pm
Hi - I have a dataset that seems to be perfectly twinned - 4 times. Long story short: Apparent space group of P6122 gives MR solution, one molecule in AU,...
1844
Kay Diederichs
kay.diederichs@...
Oct 1, 2009 3:15 pm
... Christine, I'd say you can consider yourself lucky that the latest version of refmac5 can deal with tetartohedral twinning which you seem to have. AFAICT...
Hi Christine, maybe this is worth looking at if you want to solve it through CNS; /Acta Cryst./ (2005). D*61*, 613-621 /Escherichia coli/ MltA: MAD phasing and...
Hi, i try to install cns_solve_1.21 on ubuntu 9.04 (32 bit) using cns_solve_1.21_all_intel-mac_linux-mp.tar.gz. I change the cns_solve_env: # CHANGE THE NEXT...
Hi I am completely new to the CNS software and rather lost. I was wondering how do I use the HTML interface for calculation. I add my input file but where do I...
Hi! I tried to refine a complex structure of a homodimeric protein - the monomers are C2-symmetric - with a C2-symmetric inhibitor in space group P6122. The...
Check the bottom of refinement section in FAQs (see below) - it has explicit instructions on how to do this. Feel free to send me your modified input file if...
1852
Robert Sweet
sweet@...
Oct 23, 2009 12:02 pm
Please visit the website at www.px.nsls.bnl.gov and select "Get Access to Beam Time." The PXRR (Macromolecular Crystallography Research Resource at the NSLS)...
I am using intel fortran compiler to compile CNS_Solve 1.21 with Aria 2.2 for my iMac OS X 10.6.1. There are several errors coming out when dealt with...
1854
Axel Brunger
brunger@...
Nov 2, 2009 9:59 pm
Which version of ifort are you using? 'm still running OS 10.5.8 here, but I doubt that's the problem. Try the pre-compiled CNS 1.21 binary for the mac that is...
Thanks, and I am using Intel fortran/C compiler 11.1.067, the pre-compiled CNS 1.21 binary works fine in my imac, but I need to compile Aria2.2 incorporated...
1856
Ben Eisenbraun
bene@...
Nov 3, 2009 9:13 am
Hi Chengmin, ... The ARIA installation notes say two things: - the ARIA CNS routines require CNS version 1.1 - the ARIA routines don't compile on OS X So you...
1857
Justin Lecher
j.lecher@...
Nov 3, 2009 1:03 pm
Hi all, ... If anyone is interested in using aria released patches with cns 1.2, I adopted the aria patches to apply in the 1.2 cns sources for gentoo linux....
1858
Axel Brunger
brunger@...
Nov 4, 2009 10:54 pm
It turns out that this is a "feature" of the latest ifort compiler. For some reason this compiler has problems with the variable names CLASSNAME and CLASSINDEX...
1859
Axel Brunger
brunger@...
Nov 5, 2009 6:52 pm
Dear CNS Community: I write today with very sad news about Dr. Warren Lyford DeLano. I was informed by his family today that Warren passed away at home on...
1860
Jose A. Gavira
jgavira@...
Nov 5, 2009 9:57 pm
*P*art of you, *Y*ou know, it is true *M*ore and more we are without you *O*ver the time, you will come true *L*ive for ever with us, just YOU. A big lost. G. ...
