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...
1773
guarnieri_michael
guarnieri_mi...
Dec 31, 2008 6:02 pm
Dear All, I am attempting to refine a structure with BeF3- as a ligand. Initially I received the error message; %XRASSOC-ERR: missing SCATter definition for...
1774
Robert Sweet
sweet@...
Jan 6, 2009 3:31 pm
We are offering RapiData 2009, the eleventh offering of our popular course: Rapid Data Collection and Structure Solving at the NSLS: A Practical Course in...
1775
mita_jhj
Jan 7, 2009 8:36 am
hi all, i am using CNS 1.2. can you please let me know what should be the input in get_ncs_matrices.inp i do not get what i need to fill in place of: segid...
1776
Daniel Schlieper
daniel_schli...
Jan 7, 2009 9:25 am
Hi Jasmita, have a look at http://cns-online.org/v1.21/ -> Tutorial -> Selecting Atoms. Best regards, Daniel -- Daniel Schlieper email:...
1777
Masaki UNNO
unno19@...
Jan 8, 2009 12:05 pm
Hi I am trying determine the phase of a structure by Single Isomorphous Replacement Anomalous Scattering (SIRAS). When I use the input file "ir_phase.inp", the...
1778
Laurie Betts
lab117+@...
Jan 14, 2009 6:21 pm
Post-doctoral positions in macromolecular crystallography and NMR spectroscopy at the University of Pittsburgh in the Department of Structural Biology. There...
1779
wgscott@...
wgscott...
Jan 21, 2009 7:50 am
Hi citizens: I haven't calculated SIR or MIR phases in CNS since upgrading from 1.1 to 1.2. Today I tried calculating SIRAS phases for a demonstration RNA...
