Hi, I'm trying to simulate an ammonium transport protein(1U7G.pdb) and it has a MSE residue which is not part of the "usual" protein-allhdg topology and...
1298
weimbu
Aug 5, 2005 1:47 pm
Trying to install cns1,1 on RHE3 (sgi altix 350, ) machine. Got the error below. Any help (as basic as possible) would be very much appreciated # make install ...
1299
Philip D Jeffrey (pje...
pjeffrey@...
Aug 5, 2005 6:13 pm
... This is a problem with the sed line in the script "getarch" in the $CNS_SOLVE/bin directory: MAJOR=`echo $RELEASE | sed -e 's/^V//' | sed -e 's/[A-z]\.//'...
1300
Mahalakshmi Sahasrana...
mlakshmis@...
Aug 8, 2005 4:09 pm
Dear Users, I want to do a energy minimization for trypsin-BPTI complex. I need to add 15 Cl- ions in positions of largest electrostatic potential and fix...
1301
Michael Lewis
buckaroo@...
Aug 9, 2005 1:28 am
I have a question about the distance bounds produced by the mmdisg module in CNS. Starting with the trx_ example that is distributed with CNS, I stopped the ...
1302
Paul Adams
PDAdams@...
Aug 9, 2005 6:41 am
Second Call For Speakers Gordon Research Conference on Diffraction Methods in Structural Biology July 16-21, 2006 Bates College, Lewiston, Maine, USA ...
1303
weimbu
Aug 9, 2005 3:07 pm
Try to install cns to sgi altix(itanium 2, rhe3). I make the change with the getarch script (add the intel-ia64-linux id). first try the command "make...
1304
simoneinhorn
Aug 10, 2005 3:39 pm
is there a way to get a list of noe violations for a set of structures, showing which noes are consistantly violated etc.? I know there is a list of violations...
1305
Mukherjee, Munia
mumukher
Aug 10, 2005 4:31 pm
There is a CNS script called noe_viol.inp which would calculate the violations for each structure. But it works on one structure at a time. If you use ARIA...
1306
nutellaofftoast
Aug 15, 2005 6:10 pm
Hi, I am using ARIA 2.0 to compute a structure and am running into some problems. If I use the CNS libraries that came with CNS1.1, everything works fine...
1307
Jian Xu
jxu@...
Aug 15, 2005 11:01 pm
I will be out of the office starting 08/15/2005 and will not return until 08/29/2005. I will respond to your message when I return....
1308
Michael Wilmarth
michaelwilmarth
Aug 17, 2005 1:57 am
Manager, Drug Information I am assisting to recruit a Manager, Drug Information for a biopharmaceutical company located in Bridgewater, NJ. Company They are a...
1309
cnsbbs
Aug 18, 2005 3:09 pm
I compiled CNS1.1 in redhat9 by using g77install. But, when I run any input files, cns always gave " Fatal errors" about commands that had defined in cns...
1310
amitd_01
Aug 23, 2005 8:40 am
I would like to know is it possible in refinement using cns to relax the bond angles and bond lengths of a particular residue amongst other identical residues...
1311
Soraya Pornsuwan
soraya04
Aug 29, 2005 3:11 pm
hi I am havin some problem during XPLOR installation.. 1. Edit ulogin.com in order to define the compiler (g77 or fort77) and the proper path for $XPLOR, and...
1312
Qun Wan
qunwan
Aug 29, 2005 11:33 pm
Dear all, I have two questions about b factor refinement and minimzation refinement. My crystal data resolution is 1.9A. After rigid body refinement and...
1313
Vaheh Oganesyan
voganesyan@...
Aug 30, 2005 1:59 am
Dear Colleagues, The Protein Crystallography Laboratory of Prof. Sung-Hou Kim at UC Berkeley has Nonius FR-591 diffractometer, two MAR image plate detectors ...
1314
Paul Paukstelis
paul@...
Sep 5, 2005 5:57 pm
I'm doing some modeling experiments and I would be be interested to know if there would be a way to apply unit cell and space group parameters to certain...
1315
kuzechka79
Sep 6, 2005 7:58 pm
Dear All, Need help with finding an error in my ncs.def file. This file has been generated by me for an icosahedral virus. It has 1 group and 60 equivalence...
1316
Rob Court
court01@...
Sep 10, 2005 2:38 pm
Hi, I'm working on a large structure (approx 3400 residues, two molecules in assymetric unit and 45 nucleotides DNA). At the moment I'm just building the DNA...
1317
Bryan W. Lepore
salmonrushdee
Sep 10, 2005 3:47 pm
... for annealing, you will need to pay attention to at least this in dtorsion_mod.f (grep it): MAXJNT=1000 <-i changed this. default is smaller. MAXTREE=4 ...
1318
o.h.weiergraeber@...
Sep 14, 2005 7:54 am
Hello, I am refining an X-ray structure of a calcium-binding protein at rather low resolution; since the calcium co-ordination distances are unstable during...
1319
Anne-Pascale Jaudier
Anne-Pascale.Jaudier@...
Sep 19, 2005 12:56 pm
Hi, I try to install CNS 1.1 on a DELL POWEREDGE on RedhatLinux 4 ES EM64T version. I can compile the programm but when I start it I have the following ... ...
1320
Basu
dhaksbala
Sep 20, 2005 5:19 am
Dear all, I have installed CNSv1.1 in Fedora core 2.0. The installation was sucessful, but when I source the cns_solve env file in .bashrc, the program does...
1321
htc2001_cn
Sep 20, 2005 5:27 am
Hi,all I am installing cns 1.1 under Fedro Core 4 x86_64 version on a Dell Precision 670 workstation. The first attemption to compile CNS failed, because CNS...
1322
Anne-Pascale Jaudier
Anne-Pascale.Jaudier@...
Sep 20, 2005 8:56 am
Dear Marcel , I compile with the option -DINTEGER="long int" or -DINTEGER="long long int" and when I start cns I have a 'segmentation fault'. I use the gcc...
1323
William Scott
wgscott@...
Sep 20, 2005 1:55 pm
You need to use bash syntax. cns_solve_env is written in csh syntax. There is a hidden file (use ls -a to see it) in the same directory called ...
1324
Robert Sweet
sweet@...
Sep 21, 2005 4:30 pm
There is Rapid-Access time available for PX beginning >RIGHT NOW< on NSLS beam lines. Also, the deadline for applications for the NSLS's Winter 2006 cycle is...
1325
Karen Champagne
kchampag2000
Sep 21, 2005 4:55 pm
Hi Everyone, How can I create new mmCIF file with anisothermal corrected Fobs? Many thanks, Karen...
1326
Morten Kjeldgaard
moksci
Sep 24, 2005 3:24 pm
... My suggestion is to reinstall your box with the i386 version of FC4. You will lead a happier life, and, in addition, your box will be significantly faster....
