Dear All We are looking for a NMR spectroscopist (Novo Nordisk, Denmark). If you are interested you can find the details here (yes, very long link!): ...
Hi Guys, Anyone can help me for this? My sample is a cyclic peptide, which has 11 residues. There is a disulfide bond in this segment. I can't use gmcEdit...
AHOY!!! In most cases, "pdb2gmc.tcl -disu -cis ..." will suffice for building a DYNAMO environment from a PDB file of a single-chain protein with standard...
Hi Everyone, I would like to use the titration script. In my current version of NMRPIPE, I couldn’t even find the “titr” directory containing tar archive...
Sarata Chandra Sahu
scsahu@...
Oct 10, 2006 4:29 pm
1343
Sarata, The sample titration data is contained in the data directory of the most recent version of NMRPipe (ie /NMRPipe/data/titr). You had to download this...
Hi Dr. Delaglio, Thank you for your help. I just follow what you suggest ( disulfide A 22 A 30) and all the three ways(gmcEdit, pdb2gmc.tcl and gmc_record.txt)...
Hi all: Anyone with expertise in fitXY.tcl, a quick question: Any suggestions for getting this to plot residuals? I'm getting reasonable fits and plots of my...
OI OI OI!!! this sounds like a convergence failure ... the blue (calc) line should match your experimental points, and the red (difference) line should ideally...
Dear all: I just install NMRPipe on a linux box (Monarch Breva 2 with CentOS). The "Install.com" ran fine. However, the output script of fid.com can not be...
Dear All, When I try to convert Bruke fid to nmrPipe, I usually type command "bruker". But it seems that after the fid is converted, 60~70 points are missing....
Hi, I had the same type of problem. Instead of geeting 32 points of my 2D dataset, I had only 16 points after doing coversion.But I changed my acquisition mode...
If you change the "-DMX" flag to "-AMX", no adjustment will be made during conversion. If you still include arguments for "-decim" and "-dspfvs" and "-grpdly",...
Hello Lei. I would remove the filter specifications from the first line of the .com conversion file generated by the "bruker" command. Then execute the .com...
Anna De Angelis
adeangel@...
Oct 23, 2006 5:35 pm
1353
I don't know if this list is for program error, but lets go! If not, sorry... :) I'm having a strange problem in the graphic interface of "bruker" program....
NMRPipe has its own library of TCL/TK scripts and commands. The location of these is defined in the initialization script com/nmrInit.*.com using the...
Dear All: I downloaded a 15N-HSQC of gb1 from the following URL: http://asnmr4.la.asu.edu/bio/data.html I found some strange code in the transform macro like...
Thank you! It was TCL_LIBRARY. I changed my .cshrc, but NMRView instalation changed it back. Problem solved! ... - ... and ... required ... "sh" ... ...
HUZZAH!!! Ok, as we know, the SOL function is a convolution filter, it subtracts a smoothed version of the FID from the original data, which has the effect of...
I am just curious what kind of pulse sequence these experiment use. When I do the NMR in H2O, to get a better water suppression , I always put o1 on H2O, but ...
Greetings, Dear Colleagues, Thanks to the help of Ryan McKay at NANUC, I've been able to create some simple schemes for manipulating Varian data with ...
Hi, everyone. I am a new nmrPipe user. In the directory of sample3d downloaded from nmrPipe homepage, there are some tcl files such as simple.tcl, plot.tcl,...
Hi all, I have five experiment data, hncacb, hncbcaconh, nhsqc, hncoca, and hnca, and processed well through nmrpipe. I don't have any problem to convert the...
Did you experiment end prematurely? Looks like it's expecting more data points than was collected. Best wishes, Ryan On 27-Oct-06, at 4:16 PM, wooseunglee...
Hi Everyone, I have a CBCACONH and HNCACB experiment taken on a bruker 800. When I process them, they seem to look okay except for the phasing. I have peaks...
Hi Mike, Thank you for your help ! I couldn't understand very well the use of the "pcaView" script. After running the "pcaView", in the command panel at the...
Sarata Chandra Sahu
scsahu@...
Oct 31, 2006 9:21 pm
1366
Hi Sarata, In all honesty, I did not use the pcaView script. I did look at the pcaView, but I did not understand what it was doing, so I did not worry about...
Hi there, The acqsition mode in the 15N dimension could be different. Try the acquisition mode to be "Echo-AntiEcho" instead of "States-TPPI" and don't apply...
Sarata Chandra Sahu
scsahu@...
Nov 4, 2006 11:01 pm
1368
Hi, I've looked at both pulse sequences and you can only do States-TPPI or TPPI so don't try processing them as Echo/AntiEcho and you should not need to do any...
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