Tagged questions

software for 1D-2D spectra assignment for small molecules

2 1 755
answers votes views
Please advice good software for 1D and 2D spectra assignment and structure elucidation, for small organic molecules. I'm...
Posted: VVK 21 / Updated: Evgeny Fadeev 5081 May 23 '11 at 10:54

NutsPro software to extract a plot from a stacked plot file

1 1 807
answers votes views
Hello, I was using VnmrJ to collect an array of 6 NMR spectra. I used VnmrJ to save all 6 spectra in 1 fid file by usin...
Updated: NMRUser61581 13 Mar 07 '11 at 09:56

How to compile MOLMOL for Ubuntu10.x?

1 0 899
answers votes views
Hi, has compiled MOLMOL for 32 bit Ubuntu 10.x or similar? Could you share instructions/source files? Thanks. ...
Posted: Evgeny Fadeev 5081 / Updated: newToNMR 33 Oct 27 '10 at 19:01

Is there software to draw NMR pulse sequences?

1 1 1k
answers votes views
Hi, Is there a specific program to draw pulse sequences? (preferably in windows) ...
Posted: Cleber Barreto 63 / Updated: Evgeny Fadeev 5081 Jul 10 '10 at 09:39

How does pipe estimates Haight and DHeight?

4 1 536
answers votes views
I`m new on Pipe. I was using the values from pipe to estimate R1 and R2. Because lots of signal in the HSQC were crowded...
Updated: Marcos 21 Jul 02 '10 at 10:55

How to create synthetic procpar files for VNMRJ?

0 1 809
answers votes views
Hi guys : Im trying to make a procpar for an FID, I know most of the parameters of importance, and have the schema of th...
Posted: j 111 / Updated: Evgeny Fadeev 5081 Jul 20 '10 at 11:33

MODULE for RDC

2 1 1k
answers votes views
I'm trying to analyze my RDC data using Module. But I'm using a crystal structure instead of NMR. Can somebody pls advis...
Posted: shub 31 / Updated: Evgeny Fadeev 5081 Jul 28 '10 at 11:09

How to open multiple pdb files with PyMol - all at once?

2 0 2k
answers votes views
Hello, I've started using PyMol for looking at the bundles of NMR structures. You can open files one-by-one, but it's ki...
Posted: Evgeny Fadeev 5081 / Updated: Andrew Fowler 61 Apr 07 '10 at 13:00

Is there a tool to manage NOE and other restraint lists for the structure calculations?

1 0 935
answers votes views
Hello, I'm currently working on solving a peptide NMR solution structure using NIH-XPLOR. I find myself a lot starting ...
Posted: Evgeny Fadeev 5081 / Updated: Ilango 161 Apr 02 '10 at 05:45

Software to model a 9-mer peptide that binds divalent metals and may oligomerize?

1 1 859
answers votes views
I'm gearing up for a project in which we're looking at the structure of a short peptide that should fold upon binding di...
Posted: jkurutz 101 / Updated: Evgeny Fadeev 5081 Mar 18 '10 at 09:32
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