Unanswered questions

How to confirm structure of propane by NMR?

2 2 5k
answers votes views
I will really need your help. I am chemist working in the oil buisness and I am interesting is it possible to analyze pr...
Posted: Silvija 21 / Updated: ron daedalus 11 Apr 21 '10 at 09:18

Why are my acetic acid-d4 solvent peaks off from the expected ppm value?

1 1 8k
answers votes views
Hello there. After running an 1H-NMR experiment I observed the acetic acid-d4 solvent peaks at 11.54 and 21.16 ppm (off...
Posted: BONA 11 / Updated: Evgeny Fadeev 5771 Apr 12 '10 at 15:08

How to determine the conformation of cis-cyclohexyl derivative by NMR?

1 1 4k
answers votes views
This cis-cyclohexyl derivative with two big substitutes (A and B) may has two conformational isomers, 1 and 2. How to ...
Posted: Jack 31 / Updated: Evgeny Fadeev 5771 Apr 05 '10 at 12:36

How to set up Gaussian pulse to satisfy desired bandwidth?

1 1 11539
answers votes views
Hello, posting this on behalf of my friend. The goal is to set up a gaussian shaped pulse so that bandwidth is X Hertz...
Updated: Evgeny Fadeev 5771 Apr 02 '10 at 13:15

For the RDC analysis - how to tell when the sample is acceptable/useful?

4 1 16377
answers votes views
I have a rather simple question - What is the acceptable difference in coupling constants between the anisotropic and is...
Posted: shub 31 / Updated: Bharathwaj 112 Jun 22 '10 at 07:16

Are there ways to explain magnetic-field dependent chemical shift?

4 1 23896
answers votes views
Hi everyone, I was wondering whether anyone could help me to explain why the chemical shifts in my proton and carbon NM...
Posted: Guga Hollows 11 / Updated: Arkadiusz Leniak 238 May 31 '14 at 15:46

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

3 0 24523
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 5771 / Updated: dummy2 1 Apr 05 '13 at 07:03

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

1 0 4k
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 5771 / Updated: Ilango 171 Apr 02 '10 at 05:45

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

1 1 11556
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 131 / Updated: Evgeny Fadeev 5771 Mar 18 '10 at 09:32

Is there a way to measure scalar coupling when lines are broad?

1 1 5k
answers votes views
Hello, we have a peptide where amide peaks are broad and there is no hint of observable coupling with HA protons (no dis...
Posted: Evgeny Fadeev 5771 / Updated: jkurutz 131 Mar 16 '10 at 14:59
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