This sounds to me like a compiler problem on your linux computer. Please use the latest Intel ifort, Portland Group pgf95, or Gfortran compilers on linux. I...
1744
Axel Brunger
brunger@...
Sep 9, 2008 9:13 pm
One more thing: please make sure you set limit stacksize unlimited on your machine. The default stacksize is often too small, causing unpredictable...
1745
quiquine77
Sep 22, 2008 9:27 pm
Hi all I have seen several messages without answer concerning how to deal with atoms on special position. Can somebody tell clearly what is going on when atoms...
1746
albumns
Sep 22, 2008 9:27 pm
Dear all: Rcently I want to judge if there is a ligand in my structure, and make 2fo-fc and omit map by CNS1.21. When I opened then in Coot, it found that:...
1747
ce_deli
Sep 22, 2008 9:27 pm
Deal all CNS users, I want to refine a solution NMR structure with CNS 1.2. The final CNS energy of this struture is shown below: REMARK overall = 532.641 ...
1748
Leo Chavas
cnshnaalas@...
Sep 23, 2008 6:20 am
Dear Albumns -- ... How did you solve the structure of the complex with the ligand? I would say, personally, that the omit map is trustful, as it is its ...
1749
tingt_ju
Sep 30, 2008 6:40 pm
Hi, I am using cns1.1 to refine a protein nmr structure, employing aria as a front. I routinely get tons of violations in dihedral angles: Number of violations...
1750
waleed zalloum
waleed_zalloum
Oct 9, 2008 4:45 pm
Hello, Â I am a new user of CNS. My compound is a conjugate between oligonucleotide and peptied. how could I generate a "generate_seq.inp" Â I am looking to...
1751
i_m_subh
Oct 19, 2008 8:31 pm
Hi, I was wondering if anyone could help me who has refined a protein structure with SHELXL. After solving my structure and initial energy minimization and ...
1752
Kay Diederichs
kay.diederichs@...
Oct 20, 2008 7:31 am
... Subhendu, not all of the SHELXL error messages are in the manual or the FAQs. This particular error message is meant to indicate to the user that a blank ...
1753
chuck_farah
Oct 21, 2008 12:43 pm
Hello, We are running composite_omit_map in cns but the output map file is unusually large - over 2.1 Gigas. Has anyone run into this type of problem before?...
1754
i_m_subh
Oct 27, 2008 5:49 am
Hi, Thanks for your suggestions on running shelxl.Its working and this refinement helped me to find,which looks like a DTT molecule. How do I get restraints...
1755
Wang Xu
wxcathie
Oct 28, 2008 9:25 pm
Hello Everyone, I am trying to install CNS 1.1 in Fedora 9. My default shell is bash, so I change the bash to tcsh as my default shell. yum install tcsh which...
1756
iulek
iulek@...
Oct 30, 2008 10:36 pm
Dear all, I am confused as to how to compile CNS 1.21 under openSuSE 11.0. At the "online manual"I find that I could issue: # make install compiler=gfortran ...
1757
iulek
iulek@...
Nov 1, 2008 4:32 pm
Hi all, Concerning my question on CNS compilation under opneSuSE 11.0 (which brings gfortran-4.3), I received 4 answers. Dr. Boaz Shaanan and Dr. Albumns (?)...
1758
Axel Brunger
brunger@...
Nov 4, 2008 12:03 am
Binary installations of CNS 1.21 for i686 and x86_64 Linux architectures (i.e., with compiled, ready-to-run programs) are now available at the CNS download...
1759
Axel Brunger
brunger@...
Nov 4, 2008 6:07 am
I would like to clarify my earlier email. Here it is again: Binary installations of CNS 1.21 for i686 and x86_64 Linux architectures (i.e., with compiled,...
1760
Sebastiano Pasqualato
sebastiano.pasqualato...
Nov 4, 2008 3:04 pm
Hi there! We've updated to version 1.21 and suddenly my refinements of map calculations stop with the error: ... XRAY> set echo=on message=normal end ...
1761
Sebastiano Pasqualato
sebastiano.pasqualato...
Nov 4, 2008 3:38 pm
sorry that was refinements OR map calculations ;-) ciao s This is a forwarded message From: Sebastiano Pasqualato <sebastiano.pasqualato@...> ...
1762
Murray, Michael (NIH/...
murrayms@...
Nov 5, 2008 9:43 pm
When attempting to run CNS v1.21 on a computer running OS X 10.5.5 I get the error shown on the bottom of this message. So far, this only occurs when running...
1763
Axel Brunger
brunger@...
Nov 5, 2008 10:11 pm
Please try the latest binary (i.e., pre-compiled) mac os x version that is available at the CNS download site. Also, please set "stacksize" to unlimited, i.e.,...
1764
iulek@...
Nov 11, 2008 12:05 pm
Dear all, I am trying to refine against intensities. For CNS, I should use the mhi target. I prepared a reflection file which contains the labels INDE, IOBS,...
1765
iulek@...
Nov 11, 2008 6:44 pm
Thanks both Dr. Axel Brunger and Ed Pozharski for calling my attention to the Declare statement at the beginning of the file. Mtz2various does this when I...
1766
Axel Brunger
brunger@...
Nov 11, 2008 6:59 pm
Jorge, At this time, CNS can only handle merged reflections. If you specify multiple (or symmetry-related) instances of the same hkl index, the program will...
1767
Charles@...
Nov 19, 2008 4:48 pm
... Hash: SHA1 Staff Scientist in Computational Biomolecular Structure Determination The Division of Computational Bioscience in the Center for Information ...
1768
feher_krisztina
Nov 24, 2008 11:10 am
Dear all, I have installed CNS 1.2 on a Ububntu 8.10 with gfortran installed on it and I get error messages and warnings during the compilation. Though the...
1769
Tom Lenaerts
tlenaert@...
Nov 24, 2008 2:24 pm
Hello everyone, I'm rather new to using CNS yet I would like to use it to generate structures from NMR restraint data. My structure consists of a protein and a...
1770
brian_o_smith
Dec 2, 2008 3:59 pm
Just reporting apparent success (not extensively tested yet) compiling (the non parallelised version) CNS 1.21 on a LINUX x86_64 with the Portland Group pgf95...
1771
drpauldadams
Dec 3, 2008 8:04 am
Hello, I am new to using CNS. I use a red hat linux based pc for my structure calculations. I downloaded cns_solve_1.21_all.tar. After doing this, I renamed...
1772
Masaki UNNO
unno19@...
Dec 25, 2008 3:15 pm
Dear all I am using CNS ver1.2. I want to search heavy atoms of a MAD data. When I tried to run the program using heavy_search.inp (and patterson_map.inp), I...
