Repeated unknown error

[Anthony Legrand]

Greetings,

I am new to I-PINE. I keep receiving an 'unknown error' message every time I attempt a calculation.

I work on a 205-residue protein using Ccpnmr v3. The project is exported as a NEF file, from which I extract a Sparky-like peak list (see attachment). The sequence is provided as a 1-letter code without anything else (I can provide it on request). I suspect the issue comes from peak lists formatting, yet I have tried different formattings (swapping column orders mostly), to no avail.

Could you please tell me what I am doing wrong?

Regards,

[Lee, Woonghee]

Dear Anthony,

 

The format looks fine. Maybe your sequence file is not in the text format? Why don’t you just use PINE-SPARKY.2 plugin in POKY or NMRFAM-SPARKY (two-letter-code “ep”) since it will eliminate formatting issue. You can simply open ucsf files, and read peak list files you have by “rp”. You can just type “poky” in NMRBox if you are using it.

 

Best,

Woonghee Lee, I.E.I.P., M.S., Ph.D.

 

Assistant Professor

Department of Chemistry

University of Colorado Denver

1151 Arapahoe St. (Science Bldg.) Rm 4128A (office), Rm 4128 (dry lab), Rm 4133 (wet lab)

Denver, CO 80217-3364, USA

Office: +1-303-315-7672

woongh...@ucdenver.edu

 

https://poky.clas.ucdenver.edu

https://poky.clas.ucdenver.edu/wlee-group

https://clas.ucdenver.edu/chemistry/woonghee-lee

 

Shipping/Mailing Address:

Woonghee Lee

1201 5^th St. UCD CHEM-194

P.O. Box 173364 (USPS)

Denver, CO 80204, USA

 

From: pinenmr-u...@googlegroups.com <pinenmr-u...@googlegroups.com> on behalf of Anthony Legrand <anthony.t...@gmail.com>
Date: Tuesday, November 28, 2023 at 1:01 PM
To: I-PINE/PINE and ssPINE user group <pinenmr-u...@googlegroups.com>
Subject: Repeated unknown error

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[Anthony Legrand]

Hello,

Thank you for your swift answer! Using POKY through NMRBox solved it.

I still do not know what caused this error message to appear in the first place. The only thing I changed was writing the protein's name into the sequence file and adding a '.fasta' to the file's name (since POKY was not even displaying it otherwise). Could it be a reason?

Thanks again,

Regards,

[Lee, Woonghee]

Dear Anthony,

 

Glad you have resolved.

Yes, the file extension makes a difference. You have to let I-PINE know what sequence format you are using.

To view this discussion on the web visit https://groups.google.com/d/msgid/pinenmr-user-group/3a9e6ba3-931c-4cc9-a992-001d5cfbfaaan%40googlegroups.com.