Check the .mtf file and .pdb file to make sure atoms have the same name and numbering in these two files. ... __________________________________ Start your day...
1364
Longsheng Lai
lail@...
Nov 12, 2005 9:33 pm
Dear all, I am installing cns on redhat enterprise V3. The "make g77install" ran successfully. However, "source cns_solve_env" gave the following error...
1365
William Scott
wgscott@...
Nov 12, 2005 10:25 pm
You are sourcing (t)csh syntax commands in bash. There is a file in that directory that is hidden. It is called .cns_solve_env_sh and can be edited...
1366
William Scott
wgscott@...
Nov 13, 2005 3:08 am
Hi Longsheng: The file should run silently when it is sourced and it encounters no errors. To verify that it worked, type echo $CNS_SOLVE and it should return...
1367
William Scott
wgscott@...
Nov 13, 2005 3:12 am
Oh, I should have added that you may have to create the .cshrc file in your home directory (or .bashrc or whatever you want your shell to be). I've put some...
1368
Longsheng Lai
lail@...
Nov 13, 2005 1:13 pm
Thanks for the help. I switched to tcsh and it is the same. "source cns_solve_env" did not give any results, and the program would not run. The CNS...
1369
Gerard DVD Kleywegt
gerard@...
Nov 14, 2005 3:13 pm
... sound advice. however, as of this year's version, hic-up doesn't use the pdb coordinates any longer (for most compounds, anyway) - whenever available, it ...
1370
Gerard DVD Kleywegt
gerard@...
Nov 14, 2005 3:18 pm
... if you're doing x-ray refinement then this doesn't matter since the electrostatics terms aren't used anyway (as they tend to do more harm than good during...
1371
Gerard DVD Kleywegt
gerard@...
Nov 14, 2005 3:27 pm
... you get reasonable coordinates from prodrg or hic-up (if from chempdb - see previous post a few minutes ago). otherwise, you can also use the "X-PLOR/CNS ...
1372
Khristine Anderson
michaelwilmarth
Nov 14, 2005 6:25 pm
Formulation Scientist - Boston, MA A client of ours in Boston, MA is seeking a Formulation Scientist to work in the product development environment to conduct...
1373
Zeqiang Ma
zqma@...
Nov 16, 2005 9:35 pm
Dear all, This might not be a problem for you but it has confused me for a long time. Every time after I added water by CNS water_pick, I had to check the ...
1374
immanenidinesh
Nov 23, 2005 7:10 am
HI My name is Dinesh Immaneni, grad student at university of Arkansas. Even i am getting the same error when i am trying to compile my Fortran programs with...
1375
Charles@...
Nov 23, 2005 2:48 pm
... Hash: SHA1 Hi-- ... For Linux, Mac OS X, and other Unix-like operating systems you can probably download an optimized binary from ...
1376
gamorim@...
Nov 23, 2005 6:58 pm
Dear all, I'm trying to refine a protein structure using RDC values (SANI). I included a pseudomolecule OXYZ (ANI) in mtf and pdb input files: MTF 1580 ' '...
1377
cheetahzao
Dec 4, 2005 4:14 pm
hi eveyone, I'd like to translate some xlor scripts into cns ones, so i will appreciate any advices from anyone who is familiar with both. cheetah...
1378
nicholas_noinaj
Dec 9, 2005 11:01 pm
Hi, I have experienced a problem running the translation function using CNS 1.0 for Windows. An example of the list file is below: theta1 theta2 theta3 transX...
1379
nicholas_noinaj
Dec 12, 2005 4:43 pm
Hi, I was so delighted by the responsed from my first question, it has encouraged me to ask another. I am using CNSsolve 1.1 on a WindowsXP machine and can't...
1380
sethchitayat
Dec 14, 2005 5:51 pm
hi. does anyone know how to use the accept.inp file to calculate the rms difference for each amino acid residue? Thanks, Seth...
1381
Robert Sweet
sweet@...
Dec 15, 2005 9:00 pm
We are offering RapiData 2006, the seventh offering of our popular course: Rapid Data Collection and Structure Solving at the NSLS: A Practical Course in...
1382
Robert Sweet
sweet@...
Dec 20, 2005 7:30 pm
OPENING FOR A STRUCTURAL BIOLOGIST AT BROOKHAVEN NATIONAL LABORATORY A scientific staff opening is available within the PXRR, the Macromolecular...
1383
damxtal
Dec 29, 2005 7:32 am
Hi All, I have failed to generate structure files for a multiplechains protein. Got the following errors: ++++++++++++++++++++++++++++++++++++++++++++++++ ...
1384
Raji Edayathumangalam
raji77
Dec 29, 2005 4:32 pm
Hi Daming, In layman terms, CNS has a set default max. no. of atoms (MAXA) and the total no. of atoms in your structure containing 6000 aa (500 x 12) is way...
1385
dam lee
damxtal
Dec 30, 2005 8:25 pm
All, Thanks for your kind response about recompiling. I have one more question that i'd like to compile CNS by faster Intel Fortran compiler. I failed to...
1386
Qiang Ning
qning4
Jan 2, 2006 3:40 pm
Hi there, I am new to cns installation, and want to install cns on a Dell Workstation 670n (XEON, dual processors) with Redhat Linux ws4. Can anyone provide...
1387
Kumar, Mohanraja
MKumar@...
Jan 17, 2006 7:14 am
Hi! I am using Xplor for my NMR structure calculations. I have generated JMV180 (Boc-Tyr(SO3H)-Nle-Gly-Trp-Nle-Asp-2-phenyl ethyl ester) .pdb file from PRODRG...
1388
Daan van Aalten
vdava@...
Jan 17, 2006 9:07 am
Hi Mohan You should use the topology and parameter files that ara generated by the PRODRG server. cheers Daan ... ...
1389
Robert Sweet
sweet@...
Jan 17, 2006 8:41 pm
We are offering RapiData 2006, the seventh offering of our popular course: Rapid Data Collection and Structure Solving at the NSLS: A Practical Course in...
1390
Kumar, Mohanraja
MKumar@...
Jan 17, 2006 11:48 pm
Dear! Daan, Thanks for your mail. I used same topology and parameter file of PRODRG to generate .psf (protein structure file) and it generated .pdb file which ...
1391
Khristine Anderson
michaelwilmarth
Jan 18, 2006 3:02 am
Production Chemists and Technicians - Torrance, CA I am assisting to recruit Production Chemists and Technicians for a biochemical company located in Torrance...
1392
Demetres D. Leonidas
ddl@...
Jan 19, 2006 12:17 pm
*MARIE CURIE RESEARCH FELLOWSHIPS* Applications are invited for research training positions under a Marie-Curie Fellowships for Early Stage Research Training...
