Hi, I am doing some density modification with cns, and I want to do some phase extension. Unfortunately, the script density_modify.inp doesn't seem to work for...
1207
cafandra
Feb 19, 2005 5:32 pm
Hi everybody!! I have a problem with my NOE restraints a lot of them are elimitades during calibration in it0. The calib_spectra.out file has the next message:...
1208
sethchitayat
Feb 22, 2005 7:52 am
hi, i was wondering if someone had any idea as to why of my 20 converged structures, only 16 are converted to an accept.pdb file? what happened to the other...
1209
chen
chenmengen@...
Feb 23, 2005 9:17 am
NOC: a new free program to model/build, visualize and analysis protein structure. http://noc.ibp.ac.cn/ Any question reach me by chenmengen@......
1210
Shivender Shandilya
shiven_shand...
Feb 26, 2005 7:33 am
Hi All, Anyone who can point me towards a definitive answer for installing CNSSolve v1.1 on a machine with dual AMD Opteron processors, linux (suse 9.2) using...
1211
Cnsbb
cnsbb@...
Mar 1, 2005 9:19 am
new price...
1212
GermanAG
Mar 2, 2005 8:22 pm
Dear group, I am trying to refine a structure in which the ligand can bind in two orientations. I've tried reading through and following the FAQ suggestion.. ...
1213
Chad Brautigam
cabrautccp4
Mar 2, 2005 9:49 pm
German, Did you remember to specify the alternate conformations in the minimize.inp file? There is a section of the input file that begins: "Select atoms in...
1214
GermanAG
Mar 3, 2005 5:58 pm
Chad and Group, I did specify that there were two conformers in the minimize script and used the appropriate files from alternate.inp. German...
1215
Afonso Duarte
duartenl
Mar 4, 2005 12:44 pm
Hi All, I am installing CNS1.1 on a pc with Fedora2. The instalation seems to go go ok but I get a warning in the beginning related to the type of the machine:...
1216
Chenmengen
chenmengen@...
Mar 4, 2005 12:45 pm
http://noc.ibp.ac.cn/ 1. Enhance Structures Comparison 2. Enhance secondary structure determination 3. Two electronic density maps supported...
1217
sethchitayat
Mar 4, 2005 4:59 pm
hi, when i include my hnha data for refinement, should i set the potential to harmonic? it is currently set to square, but Ecoup is pretty high. thanks, seth...
1218
Cnsbb
cnsbb@...
Mar 5, 2005 1:34 am
1219
tpukal01
Mar 8, 2005 9:11 am
Hi, I am new to structure calculation, and have used ARIA and CNS to generate an ensemble of 20 structures from NMR data. I wish to calculate an energy...
1220
sethchitayat
Mar 9, 2005 9:27 am
hi, can someone inform me of the default values that are used to incoporate the hnha data (non-glycine). much of my hnha data is being violated...my noes are...
1221
parasu_priya
Mar 9, 2005 9:31 am
Hi, When calculating structures, the pdb file has dihedral violations. Now where can i find, how the dihedrals are calculated and how to determine what was the...
1222
Brian Smith
brian_o_smith
Mar 10, 2005 9:16 am
... There are many issues with incorporating J restraints (I presume you're using J directly rather than phi dihedrals), check out the work of Schmidt & others...
1223
sethchitayat
Mar 16, 2005 9:37 am
hi, does anyone have an idea how i would calibrate my c13 aromatic noesy? is it based on distance between geminal protons? thanks....
1224
Chenmengen
chenmengen@...
Mar 17, 2005 10:08 am
NOC new version 1.5.2 available 1. Solid surface creating and electrostatic potential, hydrophobic-force coloring 2. Auto-fit sidechain against density map NOC...
1225
polkalee2003
Mar 21, 2005 8:58 am
Dear cnsbb members: I have a problem of the R-free increasing after refinement and need your suggestion. The protein crystal diffracts to 1.8 Å and was solved...
1226
Paul Riley
rileyduff
Mar 23, 2005 8:39 am
Hello all, I am trying to run CNS on Windows XP, so I modified the batch file to set the proper path for the CNS program. I'm still getting an "unrecognized ...
1227
Mensur Dlakic
mdlakic@...
Mar 23, 2005 9:40 pm
I am by no means CNS expert, but I will share my CNS setup for Windows XP. Instead of defining CNS variables via batch file (cns_solve_env.bat), on my ...
1228
bournecr
Mar 24, 2005 7:34 pm
I am having trouble applying a skew matrix to my ncs operators. I see that v1.0 has a bug reported ( * auxiliary/ncs.def Skew matrix incorrectly applied )-...
1229
Thomas Edwards
thomas.edwards@...
Mar 25, 2005 2:12 pm
Dear BB, as you will soon see, I am a complete novice... I have assigned a small protein with 3d through bond and NOESY experiments. Now I would "just" like to...
1230
gtwu_b
Mar 28, 2005 6:54 pm
Hi, Everyone, I am new user to CNS. I need your help. After I did Molecular Replacement, I got 8 MR solutions with eulers and translations. The model is a...
1231
raji
raji77
Mar 29, 2005 2:01 am
Hi Guangteng, If I understood you correctly, you have the rotation and translation matrices for the rest of the molecules and you want to write out 8 copies?? ...
1232
htc2001_cn
Mar 29, 2005 8:00 am
Hi all! I encountered the same problem. CNS 1.1 under windows XP works fine with water_pick, while RedHat Linux ES3 had trouble when dealing with the same...
1233
Brian Smith
brian_o_smith
Mar 30, 2005 1:46 pm
... CCPN formatConverter should help you get your restraints into the correct format: http://www.ccpn.ac.uk/index.html -- Dr. Brian O. Smith...
1234
briannkelly
Mar 30, 2005 4:41 pm
Dear CNS BB, I am a new user to CNS, and would like to use some NOEs from a small molecule to refine against a protein structure that I have. The protein data...
1235
Mark A. White
white@...
Mar 30, 2005 8:57 pm
Hi, The problem may be one which Joe Krahn found earlier, memory allocation under Linux. Here is his fix for the problem, which was posted to the CCP4...
