... That's OK - snapshots are indeed created at the end of each trial, all at the same time. As for the snapshots being very similar - they are only separated...
Hi I try to create a generate file from a protein pdb file, but the program stopped because the residue LLP not found in topology files. Now I have the...
You don't need to add anything to protein.top etc. Just add your .top and .param files for the ligand to the list at the top of generate.inp ... -- "Hurry up...
Hi, I was wandering how the Fourier transform function is defined in CNS. When 'ft' is used, is it a normal fast-fourier-transform call or is there more to it?...
2176
Axel Brunger
brunger@...
May 30, 2012 4:41 pm
Please read my paper in Acta Cryst A which describes the method implemented in both X-PLOR and CNS. A. T. Brunger, A memory-efficient fast Fourier...
2177
Gerard DVD Kleywegt
gerard@...
May 31, 2012 4:52 pm
Hi all, E3 ubiquitin ligase is responsible for flagging proteins for degradation by transferring ubiquitin from a donor protein onto the molecule to be...
Dear all: After spending the whole night and solving all compiling mistakes (like failure of gfortran,g77,pgf95 et al), i just figure out how to install CNS...
Notice that this use of the Intel Fortran compiler explicitly violates the conditions of the license it comes with. It's for non-commercial software...
Dear Ed, the precompiled CNS binaries does not work for NMR, because CNS needs to be compiled with modified source code for using it with ARIA and HADDOCK....
Hi All, I am trying to install CNS 1.3 on Intel machine running Fedora 16 linux. I downloaded cns_solve_1.3.all.tar.gz into my /usr/local/bin, gzipped and...
2183
Michael Strickler
michael.strickler@...
Jun 15, 2012 4:19 am
It looks like you're missing the library file libfl.a. This is provided by flex (or possibly flex-devel), which should be available as a Fedora package. ... ...
2184
Aaron Greenwood
agreenwo@...
Jun 16, 2012 3:08 am
I get the same result when I compile CNS 1.3 using fedora 17. Given the exact same source code compiles and works on lower versions of Fedora, indicates the...
... This has come up few times in the past http://tech.groups.yahoo.com/group/cnsbb/message/2124 and I am under impression that it is some 32-vs-64-bit issue. ...
Hello, Currently I'm running a new Macbook pro with Mac OS X 10.7 (Lion) and I'm currently experiencing some problems with the compilation of CNS for use with...
2187
Michael Strickler
michael.strickler@...
Jun 20, 2012 3:45 pm
... The reply from Dr. Tewary to that message, http://tech.groups.yahoo.com/group/cnsbb/message/2127, demonstrates a fix: Modify the machvar.f like this (line...
2188
Gerard DVD Kleywegt
gerard@...
Jun 21, 2012 4:56 pm
Hi all, In the past couple of years, Mark Harris in Uppsala has developed a bunch of programs and servers that are useful for crystallographers, structural ...
It worked - many thanks. I missed that previous post....
2190
Aaron Greenwood
agreenwo@...
Jun 23, 2012 3:10 pm
Removing -fast-math as a compiler option solved the problem. This is interesting from the gcc manual section 3.10 Options That Control Optimization, which...
2191
Gerard DVD Kleywegt
gerard@...
Jul 10, 2012 12:27 am
Hi all, Plants suffer from DNA damage caused by ultraviolet light in the same way that humans do. Unlike us though, they cant put on a sunhat (or move to...
2192
Gerard DVD Kleywegt
gerard@...
Jul 13, 2012 12:53 am
Hi all, Twice a year, the Protein Data Bank in Europe (PDBe; http://pdbe.org) releases new, improved and updated versions of its tools and resources. Below is...
Hello, I'm working on calculating a nmr structure of a protein using PRE data. Protein was labeled with MTSSL at 16 different places (each one at a time).PRE...
Use igroup statement like so (yes, this is done below the "do not change" line) igroup interaction (group1) (group2) weights * 1.0 vdw 0.0 end end ... -- Oh,...
2195
Axel Brunger
brunger@...
Jul 19, 2012 5:43 am
Postdoctoral Positions Available for Experimental and Computational Methods Developments for XFEL-based Crystallography Faculty and staff of the SLAC...
2196
Axel Brunger
brunger@...
Jul 21, 2012 5:31 am
CNS v1.3, revision 8 is available at http://cns-online.org/v1.3/ -> Download It includes more examples for DEN refinement in the Tutorial section. Axel T....
2197
sunando
sunando@...
Sep 12, 2012 9:01 am
Hello I am installing CNS v1.3 in the following operating system "Linux mar253 3.2.0-25-generic-pae #40-Ubuntu SMP Wed May 23 22:11:24 UTC 2012 i686 i686 i386...
Hello, I am trying to install CNS on my ubuntu operating system and I am getting the error: %SETFPEPS increase value of MXFPEPS2 and recompile %SETFPEPS error...
2199
sunando
sunando@...
Sep 13, 2012 7:44 am
Hi I have increased the value of MXFPEPS2 in the MACHARC.inc file to 4096. It is now running without any error. Best Sunando ... -- ...
Dear all, Will you please bring this ad to the notice of whoever may be interested ? Thanks very much. Best regards, Anirban Post Doctoral Positions in...
I'm trying to write out a trajectory file that I can then visualise with pymol, vmd etc. I have no problem writing something, but the vmd dcdplugin won't read...
2202
Gerard DVD Kleywegt
gerard@...
Oct 9, 2012 1:08 pm
Hi all, The Protein Data Bank in Europe (PDBe; pdbe.org) is looking to recruit an expert structural biologist to join the PDBe curation team at the EBI near ...
