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Issues with rosetta numbering and keeping ligand when relaxing molecule.

Category: 
Design
[START_CRASH_REPORT]
[ROSETTA_VERSION]: 2021.16+release.8ee4f02
[COMMIT_DATE]: 2021-04-20T20:52:25.363712
[APPLICATION]: /pub/erikps/Rosetta3.14/main/source//bin/cartesian_ddg.static.linuxgccrelease
[MODE]: Release
[EXTRAS]: default
[OS]: GNU/Linux
[COMPILER]: GCC version "4.8.5 20150623 (Red Hat 4.8.5-39)"
[STDLIB]: libstdc++ version 20150623
[START_OPTIONS]
Post Situation: 

Segmentation fault (core dumped) in rosettaDNA.static.linuxgccrelease

Category: 
Design

Hello everyone!

I am trying to redesign the protein-DNA interface to introduce novel interactions between a protein and a DNA molecule using the RosettaDNA application suite. 

I am getting this error after running the program. Can you help to fix this?

Post Situation: 

clustering PDBs from docking

Category: 
Docking

Hi,

I performed a protein-protein docking within rosetta by using a single receptor structure and several conformations of the same ligand protein. Now I am trying to cluster the results (aprox 1000 structures) using the cluster application included in rosetta by running:

cluster.linuxgccrelease -in:file:l pdblist -in::file::fullatom

Post Situation: 

email verification not received

Category: 
ROSIE

I am an academic user and applied for a new account on ROSIE. There was no mention of restrictions on email address, e.g. that an academic email had to be used.

I input my preferred external gmail account, ethanwilltaylor@gmail.com, but have not received verification emails or error messages saying that address is invalid.

Can you clarify this or otherwise validate this email address?

Thanks for your help,

EWT

Post Situation: 

Scripts and/or strategies for saturation mutagenesis simulations?

Category: 
Scoring

Just wanted to confirm there is no semi-official script or protocol for DMS using Rosetta and ddg cartesian? 

Seems like an easy enough thing to script using existing methods and protocols....but ideally, I would like a strategy that avoided generating 19 WT models per-site, per-iteration (since just one set would suffice for all DDGs).

That would same me a lot of comput time. For a 500aa protein with 10 iterations per DDG estimate, that would save me from building (18x500x10=90,000  superfulous models.

Post Situation: 

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