Hi all, Does anyone know how the dna-rna_restraints.def input file works, because i keep on getting the following error when i read it into anneal.inp under...
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...
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 ...
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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 ...
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...
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...
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...
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....
Manager, Drug Information I am assisting to recruit a Manager, Drug Information for a biopharmaceutical company located in Bridgewater, NJ. Company They are a...
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...
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...
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...
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...
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...
... 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 ... ...
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...
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...
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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...
