Hi All, I am executing translation.inp for a 2.0A data. I have sucessfully got the cross rotation output peaks. But when trying to run the translation.inp I am...
1700
Gerard DVD Kleywegt
gerard@...
Jul 2, 2008 8:36 am
well, you could fix the *symptom* by defining top/par for the ligand(s), but for molecular replacement calculations you should really remove all ligands and...
1701
Debajyoti Dutta
molbiol349
Jul 2, 2008 4:14 pm
Hi again, Thank you all for your suggestions. I am very sorry for my incomplete mail. Actually translation.inp is giving error for may atoms I have taken only...
1702
prem_tezu_poly
Jul 3, 2008 6:18 am
Dear All, is there any way to calculate theoretically Residual Dipoar Coupling value given a PDB structure. How does the RDC calculated the obtained. regards ...
1703
Debajyoti Dutta
molbiol349
Jul 3, 2008 5:44 pm
Hi all, Thank you for all replies, suggestions. All helped me a lot. Sincerely Debajyoti ... From: Ed Pozharski <epozh001@...> Subject: Re: [cnsbb]...
1704
i_m_subh
Jul 5, 2008 6:22 am
Hi, I have solved phases in a different space group than the one that was in the synchrotron data. Do I have to change the space group in the data file before...
1705
i_m_subh
Jul 6, 2008 7:47 am
Hi, I am tryting to convert truncated mtz data file to cns. The mtz header looks like this H K L IMEAN SIGIMEAN I(+) SIGI(+) I(-) SIGI(-) F SIGF DANO SIGDANO ...
1706
Gerard DVD Kleywegt
gerard@...
Jul 6, 2008 8:29 am
i hate to break this to you, but your label assignment is complete and utter rubbish! ask your supervisor to explain the difference between an amplitude and an...
1707
Debajyoti Dutta
molbiol349
Jul 6, 2008 3:17 pm
Hi again, Actually the maps prepared from the self_rotaion.inp are patterson maps. those are self_rotation_p1.map                     and...
It looks to me that the ligand is in a very tight conformation or fit that causes the close contacts. Eventually, the annealing job becomes unstable and the ...
1710
Axel Brunger
brunger@...
Jul 11, 2008 6:29 pm
CNS 1.21 is now available. A particular highlight is automatic dimensioning of torsion angle dynamics arrays (e.g., MAXTREE), so no user intervention is...
1711
Debajyoti Dutta
molbiol349
Jul 14, 2008 11:05 am
Hi, Sorry to continuing with the subjec "viewing map files" There is an utility in CNS plot_patterson that can be used to convert postscript plots from...
1712
Debajyoti Dutta
molbiol349
Jul 15, 2008 6:18 pm
Hi all, I am using the plot_patterson utility of CNS 1.2. after I type #plot_patterson #patterson map file -> *.map #patterson plane (x/y/z) -> I just want to...
1713
Debajyoti Dutta
molbiol349
Jul 17, 2008 5:00 am
Hi, Thank you very much for all help. Sincerely Debajyoti Dutta ... From: mxyf1 <mxyf1@...> Subject: Re: [cnsbb] how to answer the patterson plane...
1714
kenny5000kimo
Jul 21, 2008 6:07 am
Hi Everyone, I am trying to refine a structure that contains F atom , but am running into the following error: SELRPN: 2081 atoms have been selected out of...
1715
Axel Brunger
brunger@...
Jul 23, 2008 10:03 pm
An openmp multi-processor version of CNS 1.21 is now available at the CNS download site (see http://cns-online.org/cns_request/ to obtain downloading ...
1716
o.h.weiergraeber@...
Jul 24, 2008 12:08 pm
Hello, we just found that cns_solve 1.21 does not compile under SGI IRIX. We tried on a Fuel system (R14000) running IRIX 6.5.30 as well as on an Octane...
1717
Daniel Schlieper
daniel_schli...
Jul 26, 2008 5:02 pm
Hello, I have a 2.4 A dataset from a perfect merohedral twin. From this, I have refined a structure to R=18%, Rfree=20% using CNS 1.0 and the routines...
1718
i_m_subh
Aug 3, 2008 9:45 pm
Hi, I have built an almost complete model with some refinement but I am still unable to build two small loops (5-6 residues)using "coot" or "O" even after some...
1719
Leo Chavas
cnshnaalas@...
Aug 4, 2008 6:13 am
Dear Subhendu -- ... It might help your modeling, but I quite sure it will not make the density of the loops appear, or at least not completely. Have you tried...
1720
wmeining
Aug 4, 2008 4:29 pm
... Subject: Re: Annealing before complete model building! Date: Mon, 04 Aug 2008 12:12:49 -0000 From: mark.abrooks <mark.abrooks@...> To:...
1721
Tatsuya KAMINISHI
kami@...
Aug 4, 2008 9:24 pm
Hi, I've recently compiled an OpenMP version of CNS 1.21 using ifort (version 10.1.0.15). It works nicely with minimize.inp and bindividual.inp, and total time...
1722
Tatsuya KAMINISHI
kami@...
Aug 4, 2008 10:42 pm
Dear Prof. Axel Brunger, Thank you very much for your suggestion! ... enabled the program to run and terminate normally. Best regards, kami...
1723
rupi_navdeep
Aug 6, 2008 6:04 pm
Hi all I am getting this error while installing CNS in kubuntu 8.02... Installation directory: /usr/local/bin/cns_solve_1.21/intel-i686-linux copying files in...
1724
Daniel Schlieper
daniel_schli...
Aug 7, 2008 10:14 am
Hi Navdeep, I had the same problems on an openSUSE machine. Try the Intel compiler ifort. http://www.intel.com/cd/software/products/asmo-na/eng/282048.htm Also...
1725
Terry Dowd
dowdtldowd
Aug 7, 2008 3:55 pm
Hi, I am a new member to this group and have a calculation problem with CNS 1.2. When proton chemical shifts are added as a constraint, the overall energy in...
1726
i_m_subh
Aug 8, 2008 7:25 am
Hi Thanks for to Dr. Chavas, Dr. Mark and Dr Shaanan for your suggestions. I want to run make_cv.inp to start refinement in CNS.I have converted my mtz data...
1727
bashan.anat
Aug 12, 2008 12:45 pm
Hi , running minimize.inp in cns 1.2 I get the output .pdb file I need but at the end of the .log file I get this error : %FREHP error encountered: corrupt...
1728
Axel Brunger
brunger@...
Aug 12, 2008 2:41 pm
Please try the most recent version (1.21). Axel Brunger ... Axel T. Brunger Investigator, Howard Hughes Medical Institute Professor of Molecular and Cellular...
