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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.

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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.

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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

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Downloading Rosetta: "Forbidden. You don't have permission...."

Category: 
Compilation

hi! i'm trying to download Rosetta as an academic user. Whenever I attempt to download Rosetta (Software > License & Download > Academic Download > Download Rosetta 3.14 or any of the releases), I get an error saying "Forbidden. You don't have permission to access /downloads/academic/3.14 on this server." I tried reaching out to the CoMotion people at UW, and they said they cannot help and to ask here. How do I get access to download Rosetta? I keep looking for a license agreement i need to fill out or something but can't find anything. Thank you!

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Issues with compilation on MacOS

Category: 
Compilation

Hi, I am having difficult with downloading and compiling the academic version of Rosetta from github (but perhaps that is the wrong way to do it by cloning it onto my Desktop - MacOS 14.4). I tried to compile using scons and it seemed to work following the full instructions, but I noticed I do not have a rosetta/main/ folder. I found a rosetta/source/bin folder and compiled into that source folder. Is that correct? I can now see a number .macosclangrelease files. Thank you. 

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Model GFP chromophore(cro) using NCAA or NC backbone method?

Category: 
Chemically Modified Residues

Dear users,

Because GFP chromophore (CRO) comes from cyclization of three amino acids: S, Y, and G, I am not sure how to model it.

(1) In "Using NCAAs in Protein-Peptide Interface Design", Ornithine can be seen as a modified form of Lys: only one amino acid.

However, CRO includes three amino acids, so there are total three R groups. When preparing rotamer library, CHI angles from three R groups seems confusing.

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