Unanswered questions

How to convert Xplor distance restraint to Amber?

2 1 6k
answers votes views
Hi I am wondering if anyone knows a way to convert Xplor distance_restraint files to Amber format (7 or 8 column). Regar...
Posted: rparkesh 11 / Updated: Raman Parkesh 1 Oct 02 '10 at 10:16

Free program to calculate the theoretical second moment from crystal structure data?

1 1 5k
answers votes views
Does anyone know of a free, available program I can use to calculate the theoretical second moment from crystal structur...
Posted: Cortnie Vogelsberg 21 / Updated: SankarampadiAravamudhan 91 Oct 17 '10 at 01:38

Relating 13C and 1H chemical shifts for representation of 2D CSPs

2 1 7k
answers votes views
Hi, our lab uses the following relationship for the calculation of normalized CSPs from 1H-15N HSQC spectra: CSPnorm = (...
Posted: Martin Williams 11 / Updated: eiso 31 Oct 11 '10 at 03:33

How to process and analyze serial 1D data nmrPipe?

3 1 10857
answers votes views
Hi all, I am very new to nmrPipe. I want to achieve the following steps. It would be very kind if somebody helps. I hav...
Posted: RSnmr 11 / Updated: Evgeny Fadeev 5771 Oct 28 '10 at 09:44

Relaxation editing vr paramagnetic relaxation enhancement experiments - 13C CP-MAS NMR

1 1 7k
answers votes views
I am a beginner in NMR spectroscopy and I would like to learn more about relaxation editing experiments vs PRE. A collea...
Posted: Nico T 33 / Updated: bmoret42 11 Jan 25 '11 at 12:29

gradient shim map question

2 1 7k
answers votes views
Does anyone know for sure if a shim map is off center slightly left in a negative direction...and I assume it is a cente...
Updated: cal carpenter 11 Oct 26 '10 at 19:30

Gradshimau

3 1 11258
answers votes views
I have a problem with gradshim (gradshimau) in topspin. The problem is that im getting spitting on solvent peak (and all...
Posted: jonis 11 / Updated: Pete Gierth 401 Oct 30 '10 at 08:34

MatNMR for a 2D Spectrum

2 1 6k
answers votes views
Hi, Does anyone have experience using MatNMR to produce a 2D spectrum? Or know of any examples? I'm trying to follow t...
Updated: newToNMR 33 Nov 04 '10 at 23:03

what is different between nmrpipe and topspin softwares

2 1 8k
answers votes views
hi, i am new user to nmrpipe i want to know how this nmrpipe differs with topspin 2.1 software because when i use same p...
Posted: saship21 21 / Updated: Ganesh 21 Apr 18 '11 at 03:51

NOESY peak signs

3 1 8k
answers votes views
I am new to NOESY, so I have a number of question about interpreting resulting 2D spectra. Mixing time is 300 ms, substa...
Posted: Dmitry Mainichev 31 / Updated: Scott Robson 156 Nov 02 '10 at 10:33

Bruker GRPDLY Parameter

2 1 12248
answers votes views
I am new to working with Bruker-style NMR data and am experiencing confusion with regard to Bruker's digital filtering. ...
Posted: ChemMJW 99 / Updated: Kirk Marat 711 Nov 15 '10 at 09:10

COSY NMR limitations in the OsH-CH-CH chain

1 1 28414
answers votes views
Is it correct that COSY (not long range COSY) in the OsH-CH-CH chain is demonstrating cross-peaks only for OsH-CH-CH and...
Posted: Dmitry Mainichev 31 / Updated: Evgeny Fadeev 5771 Nov 17 '10 at 16:14

two lines in acetone-d6

2 1 6k
answers votes views
We try to setup a used Bruker Avance 200 system. After frequency search we started to setup lock and shim file. Using D2...
Posted: Thomas Tr 11 / Updated: Evgeny Fadeev 5771 Nov 19 '10 at 12:23

HCCH-Tocsy connectivities

1 1 7k
answers votes views
What I see from this picture (linked from www.protein-nmr.org.uk): that shows an HCCH-TOCSY magnetisation transfer I ...
Updated: Dummy 31 Nov 19 '10 at 00:58

Internal referencing in direct and indirect dimensions using guanidinium

1 1 6k
answers votes views
Hello, I am recording 15N-HSQC spectra of a protein in increasing concentrations (0.25–2.5 M) of guanidine hydrochlorid...
Posted: vadim 23 / Updated: Evgeny Fadeev 5771 Nov 19 '10 at 12:06

T1 Recovery Law with matNMR

1 1 5k
answers votes views
Hi everybody, I can't figure out how to do this in matNMR: I've 32 echoes with different tao separating the pi/2 impulse...
Posted: Pietro Bonfa' 11 / Updated: delaglio 1361 Nov 18 '10 at 11:31

How to plot chemical shift predictions obtained form SPARTA?

1 1 7k
answers votes views
Dear friends, I had a mutation in my protein and now I have some amino acids around mutation remained unassigned. To ge...
Updated: Dummy 31 Nov 19 '10 at 01:54

Should manipulate PDB file for SPARTA as an input/pred.tab as an input for nmrPipe?

0 1 2k
answers votes views
HELLO, I have a PDB file of two chains A and B, but as it mentioned in the manual of SPARTA, it read only one chain and ...
Posted: Dummy 31 Nov 19 '10 at 02:25

How to do a Shearing Transform in nmrPipe?

0 1 4k
answers votes views
Hi, In want to do a shearing transform of 2Q-1Q correlation spectra into a 1Q-1Q type projection. This is possible in NM...
Posted: Santy 11 / Updated: Evgeny Fadeev 5771 Jan 05 '11 at 10:18

converting nmrpipe processed data (.ft3 files) to felix matrix

1 1 5k
answers votes views
I am trying to convert the .ft3 files into a felix matrix using the pipe2mat conversion filter in felix but it doesn't s...
Updated: Kaustubh 21 Dec 13 '10 at 22:59

processing varian data in topspin?

4 1 23535
answers votes views
Hi I have recently moved to a lab which has a varian magnet, in the past I have only used brukers. The people here use ...
Posted: Thomas Garner 81 / Updated: surya 11 Feb 28 '11 at 06:28

From what experiment only two bond correlations we can get in varian nmr?

1 1 4k
answers votes views
Hi., i have one compound i need only two bond correlation contours from quaternary carbon to proton. Is there any pulse ...
Posted: RAM 21 / Updated: bernie o'hare 111 Dec 30 '10 at 09:12

Where can I find current shim values in Bruker Paravision?

0 1 3k
answers votes views
Hello, I am a novie to the field. I am trying to record the change in settings post shimming using Bruker ParaVision. I...
Posted: cyclone 21 / Updated: Evgeny Fadeev 5771 Jan 04 '11 at 15:35

converting pdb to cyana library file

2 1 7k
answers votes views
hello everyone, i work on modified amino acids. i have cartesian coordinates for these residues from crystal structure...
Posted: rajesh sonti 11 / Updated: eiso 31 Jan 13 '11 at 10:03

cs23d vs. cs-rosetta

2 1 7k
answers votes views
Does anybody have any thoughts on this ? I dont really know which is better, CS23D or CS-ROSETTA. Clearly they are ide...
Posted: j 131 / Updated: Thomas Garner 81 Jan 19 '11 at 08:05

distorted DOSY ID

9 1 9k
answers votes views
Why are some Dosy spectra 1d so distorted (like the one below)?. How can this be overcome? ...
Posted: @ 11 / Updated: Umayal Rakesh 1 Mar 30 '15 at 00:08

cs rosetta compilation for linux 32

1 1 6k
answers votes views
Hi guys : I was wondering if anyone knows where I can find CS-Rosetta compiled for 32 bit linux..... Im having trouble ...
Posted: j 131 / Updated: Evgeny Fadeev 5771 Jan 13 '11 at 12:27

How to correctly set ROESY spin-lock power?

0 1 6k
answers votes views
I'm using roesyph.2 pulse sequence (Bruker) and I would like to know how to calculate spin-lock power in Hz for this exp...
Posted: Justyna Sikorska 11 / Updated: Evgeny Fadeev 5771 Mar 07 '11 at 22:22

VNMRJ "No data in data file"

1 1 6k
answers votes views
I'm trying to display a 3D Varian file in VNMRJ. I can see values in the fid file (using the "od" utility) and convert t...
Posted: Gerard 56 / Updated: Bharathwaj 112 Jan 19 '11 at 09:05

Might anyone donate a lower end NMR instrument?

3 1 6k
answers votes views
Hello, I am working in this really small university and things would be so better if we had a 60 or 90 MHz. I was wonder...
Posted: Pimezon 11 / Updated: Damodaran Krishnan Achary 21 Jan 21 '11 at 12:51
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