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...
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...
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...
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...
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...
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...
1780
Xie Jiabao
xie.jiabao@...
Jan 23, 2009 7:43 am
Dear all, Are test reflections omitted while calculating electron density maps in cns? Best regards, Xie...
1781
Axel Brunger
brunger@...
Jan 23, 2009 7:47 am
All reflections (work+test sets) are included in the calculation of the map. However, the sigmaA calculation uses the test set. Axel Brunger...
The other parameter you may consider is treatment of missing reflections. AFAIK, ccp4 maps substitute Fc for missing data. True, these days most people just...
1783
Axel Brunger
brunger@...
Jan 23, 2009 4:34 pm
All reflections (work+test sets) are included in the calculation of the map. However, the sigmaA calculation uses the test set. Axel Brunger...
1784
Axel Brunger
brunger@...
Jan 23, 2009 7:33 pm
All reflections (work+test sets) are included in the calculation of the map. However, the sigmaA calculation uses the test set. Axel Brunger ... Axel T....
1785
Robert Sweet
sweet@...
Jan 25, 2009 2:09 am
The application deadline is 8AM EST Monday 9 February for RapiData 2009, the eleventh offering of our popular course: Rapid Data Collection and Structure...
I'm trying to install CNS on a Dell 2.8GHz Pentium 4 HT Poweredge SC420 2 GB Unbuntu 8.10 Intrepid ibex. I downloaded cns_solve_1.21 and moveed it to my...
1787
Axel Brunger
brunger@...
Jan 25, 2009 7:24 pm
A bug fix version of CNS 1.21 is available for download at http://cns-online.org/download/ . I made changes in the following files: modules/xtal/scaleftarget...
1788
Axel Brunger
brunger@...
Jan 26, 2009 3:44 am
... Axel T. Brunger Investigator, Howard Hughes Medical Institute Professor of Molecular and Cellular Physiology Stanford University Web:...
1789
Laurie Betts
lab117+@...
Jan 27, 2009 4:22 pm
I am trying to install cns version 1.1 (don't ask) on a 64-bit Linux (AMD) machine running CENTOS. When I downloaded the general tar file and then tried to...
1790
Robert Sweet
sweet@...
Feb 2, 2009 11:14 am
The application deadline is 8AM EST Monday 9 February for RapiData 2009, the eleventh offering of our popular course: Rapid Data Collection and Structure...
Dear cnsbb, I am trying to energy minimize a structure to which I have manually added a Mg2+ ion (I have ensured that the Mg has a 2+ charge). I have ...
1792
Mark A. White
white@...
Feb 5, 2009 8:09 pm
Dave, CNS has the ability to apply several types of distance restraints. NMR spectroscopists use the known hydrogen bonding geometry to restrain their NMR...
Hi all, I am new to this group, so sorry if I am repeating somethings. I cannot figure out how to name glutamine He21 and He22 (IUPAC) so CNS will recognize...
1794
Mark A. White
white@...
Feb 9, 2009 3:42 pm
Vicki, Look in the $CNS_TOPPAR/protein-allhdg.top or which ever topology file you are sourcing in your CNS input file. You seem to be using ALL Hydrogens, so...
Dear all, Could someone advise me how to install CNS1.1 on Mac (intel) OS X 10.5.6? I searched the CNSBB archive and downloaded a version from Logan Donaldson,...
Hi everyone, this is my first post on the CNS bulletin board. Thanks in advance for any help! I am currently having a problem with composite omit maps in cns...
Except that ifort costs $900 (academic price is $360, and academic use does *not* qualify for non-commercial software development). You can get around it once...
