Re: Ponderosa NMRFAM-SPARKY Issue with Structure Calculations

[Lee, Woonghee]

Dear Elanor,

 

PONDEROSA Server is not running on NMRFAM servers ATM.

 

To get around, use the latest POKY. If you are using the “c3” plugin, it will automatically submit a job to one of POKY servers.

 

If you are using POKY Builder, you will see “Computing on POKY servers” is activated by default.

 

 

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: Elanor Sievers <esie...@ucsd.edu>
Date: Friday, May 13, 2022 at 1:40 PM
To: Woonghee Lee <wh...@nmrfam.wisc.edu>
Subject: Ponderosa NMRFAM-SPARKY Issue with Structure Calculations

 

Hello,

 

I am an undergraduate at UCSD who is currently working on determining the structure of a protein that has not been solved before.

 

I am having trouble with accessing the Ponderosa webserver via the built-in Ponderosa Client within POKY (aka SPARKY). I ran the Ponderosa-C/S Structure calculation, which yields this message:

However, soon after the job is submitted, I receive this error message in my email:

I would greatly appreciate if you could help me solve this problem. Or, if not, I would appreciate you referring me to the appropriate person for this issue.

 

Thank you so much for your time.

 

Sincerely,

Elanor Sievers

--

Elanor Sievers

UC San Diego, 2022

Biochemistry/Chemistry