Dear all, Thanks for your reply. It is not merely a permission problem. Indeed i was not even able to run the script as a root. Then, the problem was in the...
Hi all, Is there any way to use talos in reverse for a protein of known structure - that is, given a pdb file (hence known sequence and phi/psi angles), do a...
Also with the PROSHIFT Server: http://www.tools.bakerlab.org/~mj/proshift_submit.php -mandar ... From: Shaheen Shojania To: nmrpipe@yahoogroups.com Sent:...
The program "SHIFTS" from David Case's group is also helpful. I had this very same question a few weeks ago and was pointed here by a member of my research...
Of course there is. The stand-alone version, based on individual phi/psi angles, can be accesed via the program "DC". It gives a rough estimate for the 5...
Here's a script that makes the CS simulation from scratch, using only the PDB file as input ... simCS.tcl -in ubiq.pdb -out csSim.tab Cheerful Regards, Big FD ...
Thanks all, for the suggestions and instructions! I'd tried shifts and shiftx a year or so ago, and was now wondering whether it was possible to predict shifts...
Hi there, I am trying view2D.tcl (v.2004.138.15.54) to compare spectra. I noticed the scrollbars of the peakView window are not working: when I click on any of...
Frank, I am wondering if 5D support is in plans. In this respect a certain format change is maybe a good idea, as hyper-cubes are even more difficult to...
Dear all, what kind of data does addNMR use reliably? I used it to subtract the fids of two HSQC spectra and to subtract the spectra. The latter one has a...
Has the Xview Warning issue ever been resolved? Can't find a thread following this, and now am getting the same warnings, by the hundreds, on a recent...
Keith Inman
kinman@...
Jan 18, 2006 3:38 pm
1155
Greetings friends, addNMR works for NMRPipe format data, FIDs, spectra, and interferograms. Regarding which method is "more accurate" ... Consider two fids, A...
Dear All Can anyone tell how to pridict the spectras and by using which softwarres the compounds containing Heavy atoms such as Platinum, Palladium or...
Dear Anand, I think Gaussian 03 could do it. Search using Yahoo or google for it... ... Dear All Can anyone tell how to pridict the spectras and by using which...
I am also receiving that warning, as is everyone else in our lab. What does it mean? It does not appear to be causing any problems in analysis and is more...
In the fid.com file, only specify the number of points you want to convert to NMRPipe format instead of the fully collected set. Best wishes, Ryan On...
The NMRPipe "EXT" function can be used to extract a range of points in either the time-domain or frequency domain. Use it with the "-sw" flag to update the...
My 2 cents added: In the processing, in the window function, use the -size parameter. I presume it works like the TDeff in Bruker softare. Then use ZF...
Virgil Simplaceanu
vs2a@...
Jan 21, 2006 5:44 pm
1166
Hi, I'm trying to process interleaved noe spectra acquired using Bruker's hsqcnoef3gpsi sequence. I just can't see anyway to untangle the spectra. Any...
Virgil's suggestion is reasonable, but not always completely equivalent to reducing the size of the FID directly. Some cases where it would be different, other...
If you read through to the bottom of the hsqcnoef3gpsi pulse sequence file, there is a comment line that says to use the Au-program command splitinvnoe in...
Many Greetings, The scheme required depends mostly on the order in which the data is interleaved. It is actually handy to manipulate this kind of data as...
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