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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: 

Issues building for Phenix interface

Category: 
Compilation

Hi,

I'm having trouble building 3.14 from the release 371 source on RHEL8 using gcc 8.5.0 following the instructions at https://phenix-online.org/documentation/reference/rosetta_install.html. I realize this is a newer compiler / glibc, but that doesn't seem to be the issue. Instead I seem to be seeing missing / incompatible header issues. Specifically, I get:

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Where are exact source files for rosetta graphics 6.04 beta?

Category: 
Compilation

I'm hoping someone here can point me to the actual source tree that was used to build rosetta_graphics_6.04_x86_64-apple-darwin.

I am the long time volunteer Mac programmer for BOINC and am working on fixing the problems with the BOINC screensaver when running under MacOS 14 Sonoma. I want to build the Rosetta graphics app rosetta_graphics_6.04_x86_64-apple-darwin from the source files but link it with my modified BOINC libraries to confirm that my code fixes the screensaver for project graphics.

Post Situation: 

Issues building rosetta in Mac

Category: 
Compilation

Hello, I downloaded the last github version of Rosetta, and trying to build it in my Mac. I'm facing the next errors that stop the building:

"Running versioning script ... 

Encounter error while executing: git rev-parse "HEAD:source/src/python/PyRosetta/binder"

 

Encounter error while executing: git rev-parse "HEAD:source/src/python/PyRosetta/binder"

fatal: not a git repository (or any of the parent directories): .git"

 

My laptop details are:

Model Name: MacBook Air

Post Situation: 

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