... I assume that your "hkl" file is in CNS format. "cv" file is not any different, make_cv.inp simply adds an extra column to define the test set. Other...
2165
mscsu
Apr 25, 2012 3:07 am
Hi Everyone, I am having some trouble with make_cv.inp. I am using cns 1.3. My issue is that I have a hkl file that I want to convert to a cv file. My hkl file...
2164
sunil
sktewarybt1993
Apr 14, 2012 1:25 pm
Hi I am facing the problem of putting correct label in the MTZ file. Ctruncate (ccp4 GUI) programme uses some default label which is not sufficient to run...
2163
Sanishvili, Ruslan
rsanishvili@...
Apr 12, 2012 3:09 pm
Dear Colleagues, This is friendly but final reminder that Tuesday, April 17 is the application deadline for the fifth annual CCP4 Summer School "From data...
2162
Gerard DVD Kleywegt
gerard@...
Apr 11, 2012 2:15 pm
Are you an aspiring science communicator who has a wonderful way with words? The Protein Data Bank in Europe (PDBe; http://pdbe.org/) is looking for an ...
2161
jruhym
Apr 5, 2012 8:53 pm
Hi, I have a situation in which I would like to have different scale factors for NOE and hydrogen bond restraints using annealing. I looked on the "input...
2160
Ed Pozharski
pozharski
Apr 4, 2012 4:37 pm
Since the error is raised by Aria23/src/py/aria/cns.py, this is not a CNS-question. Try asking your question in Aria discussion board. ... -- After much deep...
2159
f570518
Apr 4, 2012 4:29 pm
Dear All, I installed cns-solve.1.21 coupled with Aria2. When I tried to run aria2 I got the error message as: EntityValueError: USER ERROR...
2158
Sanishvili, Ruslan
rsanishvili@...
Apr 3, 2012 10:15 pm
Dear Colleagues, We would like to point out that the application deadline for the 5th annual CCP4 Summer School "From data collection to structure refinement...
2157
Paul Adams
PDAdams@...
Apr 3, 2012 9:01 pm
Dear Colleagues, on behalf of the selection committee I'd like to draw your attention to the the Trueblood award: ...
2156
Mike Osborne
ozzy672003
Mar 26, 2012 8:33 pm
Hi Everyone I was wondering if anyone has a working topology and param file (CNS) for one of the following ligands with protons to allow me to do a structure...
2155
Ed Pozharski
pozharski
Mar 26, 2012 6:30 pm
Use Hic-Up database, e.g http://xray.bmc.uu.se/hicup/BME/index.html Otherwise, xplo2d is a standalone program (part of USF) and prodrg is a server you can use....
2154
mscsu
Mar 26, 2012 6:23 pm
Hi Everyone, I was wondering if the cns libraries have definitions for 2-mercaptoethanol and 2-hydroxyethyl disulfide. If not, how can I generate those...
2153
Alexey Denisov
denisrita
Mar 8, 2012 8:49 pm
I solved this puzzle with help of the XPLOR manual. The absent NCS file "ncs_restrain.dat" for symmetry in NMR structure calculations should be like: flags ...
2152
Alexey Denisov
denisrita
Mar 6, 2012 7:51 pm
I am running CNS 1.2 calculations of NMR structure of symmetric DNA duplex (like (CGAAATTTCG)2 ) and would like to use NCS restraints included in the...
2151
Weidong Hu
lakesu
Mar 5, 2012 7:16 pm
Dear All, Â I would like to use CNS 1.2 to calculate peptide structure based on NMR restraints. I am wondering where can I get a water refinement script...
2150
Krisztina Feher
feher_krisztina
Mar 5, 2012 10:57 am
Hi Nic, thanks a lot! This was the solution as you suggested: I forgot to add the new residue into the link file to be patched with PEPT. SInce the involved...
2149
Nic
nsteussy
Mar 5, 2012 10:14 am
Yes. I have had this happen when I had to create a novel amino acid (oxidized cysteine) and didn't set it up to 'link' with the normal amino acids....
2148
Ed Pozharski
pozharski
Mar 5, 2012 1:15 am
Most likely, there is some error in topology. Please post your topology/parameter/link files for the unconventional residue....
2147
feher_krisztina
Mar 4, 2012 8:46 pm
Dear All, I was generated topologies/parameters for a new residue in a peptide. The generate.inp created a correct peptide bond from the new residue to the...
2146
Sanishvili, Ruslan
rsanishvili@...
Mar 2, 2012 8:23 pm
Dear Colleagues, This is a reminder that the deadline for applications for the 5th annual CCP4 Summer School "From data collection to structure refinement and...
2145
Gerard DVD Kleywegt
gerard@...
Mar 1, 2012 7:36 pm
Hi all, As you may recall, the Protein Data Bank in Europe (PDBe; http://pdbe.org) has launched a number of PDB archive browsers in the past two years. These...
2144
Ed Pozharski
pozharski
Feb 22, 2012 4:29 pm
Take a look at this thread http://tech.groups.yahoo.com/group/cnsbb/message/2124 Once again, I don't really know what the problem is since I can neither ...
2143
kumud agarwal
meet_kum04
Feb 22, 2012 2:55 pm
Hi I have been trying to install CNS 1.3 (using source installer - cns_solve_1.3_all.tar.gz) on ubuntu on i686 architecture. After giving make install command...
2142
meet_kum04
Feb 21, 2012 4:16 pm
Hi Please tell me how to install CNS 1.3 on ubuntu on i686 architecture. Is binary installation (cns_solve_1.3_all_intel-mac_linux.tar.gz) possible on i686 or...
2141
Gerard DVD Kleywegt
gerard@...
Feb 20, 2012 7:32 pm
Hi all, In April we will once again organise the EMBO practical course on "Computational structural biology - from data to structure to function". The ...
2140
Gerard DVD Kleywegt
gerard@...
Feb 3, 2012 8:47 pm
Hi all, As many of you know by now, the Protein Data Bank in Europe (PDBe; http://pdbe.org) regularly produces Quips, short interactive stories about QUite...
2139
Gerard DVD Kleywegt
gerard@...
Feb 3, 2012 7:46 pm
Hi all, The Protein Data Bank in Europe (PDBe; http://pdbe.org) releases new, improved and updated versions of its tools and resources twice a year. Now it's...
2138
Kiran
dr.kirankulk...
Feb 3, 2012 4:46 pm
Hi All, I am facing the same problem reported by Rob in 2002. Is there any solution for this. Many thanks. Regards, -Kiran...
2137
Robert Sweet
sweet@...
Jan 30, 2012 7:42 pm
We are extending the deadline because seats are still available for RapiData 2012, the fourteenth offering of our popular course: Rapid Data Collection and...
