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How to add new Movers to Rosetta

Submitted by mb0261 on Thu, 2022-06-30 10:48
Category: 
Docking

I have a folder with some files to define a mover 'AddEncounterConstraintMover' the Path of the folder is  under 'source/src/devel'. What should I do to make Roseta 'read' the files and apply the mover when its runninng? I have all .hh, .cc, .fwd.hh and Creators files.

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Rosetta 3 - General

Problem with 'AddEncounterConstraintMover'

Submitted by mb0261 on Tue, 2022-06-28 10:00
Category: 
Docking

Greetings, I'm trying to reproduce a local protein-protein docking using replica exchange methods published in this paper: https://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1010124 . 

After I run I receive  the followinf error message:

 

[FILE]: src/protocols/rosetta_scripts/RosettaScriptsParser.cc

[LINE]: 1192

[START_MESSAGE]

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Rosetta 3 - General

Local docking- should I use KIC?

Submitted by seayoung lee on Fri, 2022-05-27 02:45
Category: 
Docking

Hi, I'm kind of new to Rosetta. 

I am trying to dock GPCR and G protein complex using local docking, but it turns out that there is some clashes between Interloop 2 and G alpha subunit. How can I solve this problem? Should I use KIC for loop modeling and then use local docking application? 

Could you please help me solve this problem?

 

Thank you

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Rosetta 3 - Applications

IL-2 gets better binding with beta / gamma

Submitted by tonycheng1688 on Wed, 2022-05-25 10:23
Category: 
Docking

We would like to restrcuture the IL-2 for better binding with receptors - beta and gamma.  We used tools to restructure IL2 and get a list of different variants. i.e. a list of PDB files.   We hope to use computation method to find out the limited list of best structures before going to lab. So that we can focus on best group first to save time and resource.   

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Rosetta 3 - Applications

Residue outside res_map range

Submitted by amcallister on Fri, 2022-04-22 11:26
Category: 
Docking

Hello,

I have been trying to dock a ligand into my protein but I am getting two different errors. The first time I ran sbatch launch_design.sh and it would time out and give the files pocket-183006.err and .out, but the out file was empty. I tried running multiple jobs by creating a new file RosettaDesign.sh but it would fail, and I got the files pocket2-198770.err and .out. The error I received is residue outside res_map range. I have uploaded the files in text form and was wondering what is causing it to fail.

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Rosetta 3 - General

Error: Start tag expected, '<' not found

Submitted by Isomerase on Wed, 2022-04-06 19:45
Category: 
Docking

Hi everyone,

The program reported error after I typed in ~/rosetta/source/bin/rosetta_scripts.linuxgccrelease @options

[END_BACKTRACE]

[FILE]: src/protocols/rosetta_scripts/RosettaScriptsParser.cc
[LINE]: 1203
[START_MESSAGE]
Input rosetta scripts XML file "dock.xml" failed to validate against the rosetta scripts schema. Use the option -parser::output_schema <output filename> to output the schema to a file to see all valid options.

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Rosetta 3 - General

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