Hi All, I am facing the same problem reported by Rob in 2002. Is there any solution for this. Many thanks. Regards, -Kiran...
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...
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...
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 ...
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...
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...
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 ...
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...
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...
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...
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....
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....
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...
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...
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...
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 ...
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...
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....
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...
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: ...
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...
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...
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...
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...
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 ...
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...
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...
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...
2166
Ed Pozharski
pozharski
Apr 25, 2012 12:31 pm
... 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...
2167
Jeanne Cambefort
cambefort@...
May 16, 2012 5:15 pm
Hello, I'm new on CNS. I would like to generate N structures during a molecular dynamics. I employed model_anneal.inp downloaded on...
