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Small molecule ligand docking in RosettaDock-4.0

Submitted by hicks139 on Thu, 2023-03-02 09:35
Category: 
ROSIE

Is RosettaDock able to perform small molecule docking to protein? I have a PDB file containing a small molecule with the exepcted 'HETATM' record and containing the protein chains I'd like to dock it to labeled with the expected 'ATOM' record. It looks like RosettaDock-4.0 doesn't recognize HETATM records as selectable chains to perform docking with. 

Thanks,

Dustin

Post Situation: 
Unsolved
Forums: 
ROSIE - General

farfar2 not submitting jobs

Submitted by santos on Thu, 2023-03-02 05:07
Category: 
ROSIE

Hello ROSIE and FARFAR2 team,

I've been trying to submit a RNA structure prediction using FARFAR2 and it is not working. Namely, when I press to submit the job, the submitting window pops up and it never submits the job. I tried changing the computer and browser, but unfortunatelly the "error" still remains.

Thank you very much for your attention.

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Unsolved
Forums: 
ROSIE - General

Rosie login email verification

Submitted by dominiksIZI on Tue, 2023-02-21 06:10
Category: 
ROSIE

Hi there,

I would also like to ask for an email address confirmation to access ROSIE via Github. Could you please help me with the verification?

My institution is the Fraunhofer Institute for Cell Therapy and Immunology (IZI)

Domain: @izi.fraunhofer.de

Thank you very much!

Dominik

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Unsolved
Forums: 
ROSIE - General

Access to GitHub Denied

Submitted by Lucia_G on Wed, 2023-01-25 07:13
Category: 
ROSIE

Hi,

I am contacting you as I cannot login in GitHub portal with my ROSIE account credentials to perform docking analysis. 

My credentials are:

Lucia93

University of Warwick

I also created an account on Rosetta Commons website, but neither those ones are accepted for the login.

Can someone help me with this please?

Best wishes,

Lucia

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Unsolved
Forums: 
ROSIE - General

Access to Rosie via GitHub Authentication

Submitted by Prizrak5 on Thu, 2023-01-05 01:38
Category: 
ROSIE

Dear colleagues.

Would you like to verify my academician e-mail for access to Rosie via GitHub Authentication?

My institution is Taras Shevchenko National University of Kyiv (Kyiv, Ukraine).

Our main academician domain is @knu.ua.  Our additional (old) domain is @univ.kiev.ua.

Sincerely

Alex Nyporko

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Forums: 
ROSIE - General

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