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When posting build/install question please specify the following information about your system and PyRosetta version, this will allow us to answer your questions more accurate and faster:

- OS type,
- OS version
- OS arch (32 or 64bit)
for example: Ubuntu Linux 10.04 32Bit or Mac OS X 10.6

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Thank you!

Post Situation: 

input file for loop modeling

Category: 
Loop Modeling

Hello

I want to repair my missing residues by loop modeling. As it has shown In the demos and tutorial, I should have a file like x_missing_loop.pdb

it is like main pdb file of target protein BUT it hase something called table energy pose bellow it. How I should make this table energy pose. ???? tutorial has not said anything about making this table energy pose

I have attached that input file from demos, please explain how I can make table pose energy which is under cordinations data?

Post Situation: 

newbie question re pose syntax

Category: 
PyRosetta

Hello :

I am learning the basics of pyrosetta from this tutorial 

https://graylab.jhu.edu/pyrosetta/downloads/documentation/PyRosetta_Manual.pdf

but when I enter the code verbatim I get an error.

is  something wrong with the syntax they give?  trying to do this:

 

Post Situation: 

The question about FavorNativeResidue

Category: 
Enzyme Design

 I  read the paper Rosetta and the Design of Ligand Binding Sites doi:10.1007/978-1-4939-3569-7_4.

 

then try to use  EnzRepackMinimize  to design the protein.

But FavorNativeResidue was set as 0.5-3.0, the mutant position numbers are same and there are too many mutant positions.

However, I use the PackRotamersMover  by changing  FavorNativeResidue and can get different mutant position numbers.

How can I solve it? Thanks.

 

Post Situation: 

is it necessary to always run relax before any Rosetta

Category: 
Design

I performed p_mut_scan to see if certain mutants make the protein more stable. Is it absolutely necessary to run Relax (1) before running anything [2] like pmut_scan or ddg_monomer. I have already done about 6 months of work with these without Relax. Surprisingly, pmut_scan did correctly predict 2 mutants.

-> Do I have to redo everything since I did not relax the structure?

->Another question: What is the meant by "options_annealer"  section in the documentation: " By default, fixbb uses the standard annealer used" [3]

Post Situation: 

problems with implementing NOE constraints

Category: 
Constraints

Hi I'm running csRosettaCM with POMONA alignments and I would like to include NOE constraints in my models. Some of my constraints are on the side chains, therefore I cannot implement them in centroid mode, and would like to implement them in the full atom mode. However, it seemed like csRosetta has ignored my cst_fa_file and did not take in the constraints on the side chain. Any suggestion on how to fix this? And if it is possible to run csRosetta in full atom mode directly?

I have the following in my flags file:

-cst_fa_file noe_fa.cst

Post Situation: 

protocols.jd2.JobDistributor: [ ERROR ]

Category: 
Design

Hi I met the error "protocols.jd2.JobDistributor: [ ERROR ] " when I run antibody_designer of RAbD, that I tried to use 3ogo.pdb (renumbered with PyIgClassify), which is a nanobody-antigen complex structure, as input.

Has anyone come across the same error before?

My command was:
/home/cltam/Desktop/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/antibody_designer.static.linuxgccrelease -s 3ogoOut.pdb -primary_cdrs H3 -graft_design_cdrs H3 -seq_design_cdrs H1 H2 -allow_omega_mismatches_for_north_clusters

Post Situation: 

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