Unanswered questions

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

2 0 648
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 2831 / Updated: Andrew Fowler 51 Apr 07 at 13:00

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

1 0 354
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 2831 / Updated: Ilango 151 Apr 02 at 05:45

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

1 1 372
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 91 / Updated: Evgeny Fadeev 2831 Mar 18 at 09:32

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

1 1 363
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 2831 / Updated: jkurutz 91 Mar 16 at 14:59

In ModelFree calculations how to deal with spins not assigned to models and vice versa?

0 1 184
answers votes views
What does it mean when modelfree does not assign any model to a particular spin? Also, what should one do if more than h...
Posted: Jeetender Chugh 31 / Updated: Evgeny Fadeev 2831 Apr 07 at 09:13

Is there a script that converts Sparky .list files to XPLOR input format?

1 1 307
answers votes views
I have 5 different RDCs that I've extracted using simple perl scripts and Sparky .list files. I want to use XPLOR for s...
Posted: mikaelastewart 11 / Updated: Evgeny Fadeev 2831 Mar 15 at 14:37

How do you calculate the % or degree of acrylation of a polymer using integrated NMR peaks?

2 1 509
answers votes views
Hello, I'm trying to use an NMR spectrum to define/calculate a "degree of acrylation" for a PLA-PEG-PLA block copolymer ...
Updated: juxtabo 11 Apr 11 at 10:48

How should molecule flexibility affect NOE distance restraint calibration?

1 0 510
answers votes views
How would you recommend to approach this problem - we have a peptide that has side-chain exposed to the solvent and it i...
Updated: Evgeny Fadeev 2831 Mar 13 at 18:48

How to fix error code 9 when running modelfree?

3 2 439
answers votes views
Guys-has any one used fastMF program from Loria's group? I am getting an error message - "Error during input, file= 6mar...
Posted: Jeetender Chugh 31 / Updated: Evgeny Fadeev 2831 Apr 07 at 09:12

What NMR experiments can be used to detect hydrogen bonds?

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answers votes views
Hello, what NMR experiments can detect hydrogen bonds directly? Is there anything that can work with non-labeled sample...
Updated: Evgeny Fadeev 2831 Mar 29 at 15:43

How do you determine error on the peak position?

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answers votes views
Hello, could anyone suggest a method to determine error (maybe standard deviation or some other estimate) of a peak posi...
Posted: Evgeny Fadeev 2831 / Updated: sekhar Talluri 321 Mar 14 at 08:46

Where can I find information about the basics of Solid State NMR Pulse Sequences?

2 1 496
answers votes views
Help me in getting the books and articles related to know the basics of Pulse Sequence for Solid State NMR. ...
Posted: Padma Prasad Karthikeyan 11 / Updated: bernie o'hare 56 Mar 13 at 10:29

Are there tools that automate obtaining RDC values and accuracy from NMR data?

2 1 557
answers votes views
Hello. I was wondering if there are any software programs to extract RDC values, and their associated errors from proces...
Posted: Elio Cino 31 / Updated: bernie o'hare 56 Mar 13 at 10:30

NMRPipe: Why Varian States-TPPI NMR data is to be processed with -yMode Complex?

1 0 453
answers votes views
Hello, I've started using Varian instrument at UCI two years ago and I use nmrPipe to process the data. This one thing ...
Posted: Evgeny Fadeev 2831 / Updated: Clemens Anklin 166 Jun 06 at 15:14

Varian data storage: Float vs INT ?

3 2 462
answers votes views
Hi Guys, I noticed that the Varian file format has a bit in the status code (a short value in the 32 byte header) which ...
Posted: j 91 / Updated: Evgeny Fadeev 2831 Mar 04 at 12:43

gNhsqc_IPAP RDC data processing

3 2 320
answers votes views
Does anyone know how, or have a resource that can assist me in processing data collected from this experiment? Thanks. ...
Posted: Elio Cino 31 / Updated: Evgeny Fadeev 2831 Mar 04 at 07:28

How do you use PyMol to visualize structure bundles and related MR data?

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answers votes views
Hello, are you using pymol to analyze NMR structures? (I've been mostly using Molmol before). Have you learned any PyMo...
Updated: Evgeny Fadeev 2831 Mar 02 at 12:29

How to translate Bruker shaped pulse statements to Varian?

2 2 535
answers votes views
I was wondering how to add a shaped-pulse to a standard fHSQC pulse program on a Varian? ...
Posted: dcapraro 21 / Updated: Evgeny Fadeev 2831 Mar 02 at 08:15

Are there alternatives to MOLMOL for visualization of NMR structure ensemebles?

2 0 478
answers votes views
Hi folks, I've been using Molmol, but found significant issues when working with a non-standard structure. For example...
Updated: Evgeny Fadeev 2831 Mar 02 at 08:05

How would you compare solving NMR structure of a smaller peptide vs that of globular protein?

1 0 505
answers votes views
By smaller peptide I mean somewhere around 15-20 aminoacids, having a cycle or two that constrain the geometry. Also - ...
Updated: Evgeny Fadeev 2831 Feb 27 at 10:23

What are the biggest differences in solving NMR structures of DNA or RNA vs. proteins?

1 0 383
answers votes views
I've only solved NMR structure of globular proteins (actually in a complex with a short stretch of DNA), but never a str...
Updated: Evgeny Fadeev 2831 Mar 08 at 09:45

Is it safe to do levitation demo with superconducting NMR magnets?

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answers votes views
We do this trick with our 800 MHz Oxford Instruments-built magnet often to impress some folks: Remove the probe and plu...
Posted: Evgeny Fadeev 2831 / Updated: jkurutz 91 May 26 at 03:56

Is it possible to record EPR in THF (tetrahydrofuran) at -78C ?

0 0 184
answers votes views
We've tried to measure an EPR spectrum of something in THF at -78C and could not tune the cavity on our Bruker EMX500 sp...
Updated: Evgeny Fadeev 2831 Feb 12 at 15:52

How do you find incorrectly assigned NOE restraints?

3 1 730
answers votes views
So you've analyzed your NOE data sets and have 1000+ assigned restraints, with probably inevitable errors. Going through...
Updated: Evgeny Fadeev 2831 Mar 02 at 09:09

How to display NMR structure of molecule with non-standard residues?

1 0 369
answers votes views
... solving a structure of a cyclic peptide with Ornithine residue, where Orn side-chain participates in an amide bond. ...
Updated: Evgeny Fadeev 2831 Feb 02 at 08:59

Absorption of RF energy quantum and change of the nucleus spin state

1 0 305
answers votes views
Is a quantum of energy such as that in transverse RF field produced by NMR probe absorbed instantaneously by a single nu...
Updated: Evgeny Fadeev 2831 Jan 26 at 13:42

NMR experiments to assign aromatic sidechains?

3 1 657
answers votes views
Hello, may I ask this - NMR experiments/pulse sequences are available to assign aromatic sidechains - Phe, Tyr, Trp? We'...
Posted: anita 31 / Updated: Matthew Revington 11 Aug 19 at 07:15

Anti-diagonal artefact in DQF COSY (Varian dqcosy.c)

1 0 595
answers votes views
Hi I have the following problem in dqfcosy - have pretty strong antidiagonal. I've run the same experiment before on ot...
Updated: Evgeny Fadeev 2831 Feb 26 at 08:32

Example of XPLOR NMR structure with unnatural custom residues

0 2 230
answers votes views
Hi there! Could anyone share an example of NIH-XPLOR files for annealing of NMR structure with non-natural residues. May...
Updated: anita 31 Jan 19 at 11:40

What may cause lock level depend on pfgon setting in vnmr?

1 0 367
answers votes views
Hello, I've been working through the probe performance tests and noticed that when I change pfgon='yyy' to pfgon='nyn' l...
Posted: Evgeny Fadeev 2831 / Updated: Kirk Marat 351 Jan 15 at 11:47
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