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Availability of PyRosetta compiled with Python3.8

Category: 
PyRosetta

Hi,

I have a commercial licence for PyRosetta.  I recently upgraded to Ubuntu20.04, which comes with Python3.8.  I understand that you're planning on releasing PyRosetta compiled with Python3.8 and was wondering when that might be available.  I tried compiling PyRosetta myself (and have been previously sucessful with python3.6 on ubuntu18.04), but ran into issues compiling under stock Ubuntu20.04.

 

Thanks

Post Situation: 

How to choose designed antibody

Category: 
Design

Dear all,

I am trying to use Rosetta dock and antibody design modules to design antibody in order to improve the affinity of the antibody to the antigen.  Firstly I docked the antibody to the antigen. In this step I got 500 and antibody-antigen complex models and selected top 10 models based on the lowest I_sc energy. Then I ran AntibodyDesign using a command like the follow for each of the 10 complex models:

Post Situation: 

can't install ipython + all tests fail

Category: 
PyRosetta

Hi all,

  I am trying to install ipython to eventually install pyrosetta as instructed by this guide:

http://www.pyrosetta.org/documentation/windows

However, I can't install iphyton (enable to locate package error) 

I tried many solutions that I found online, but all failed to solve it

Moreover, when I try to continue without solving it, all the tests fail. I checked the python version as recommanded here:

Post Situation: 

How to create a native file for Protein-Protein docking

Category: 
Docking

Hi,

 

We are trying to dock two proteins, let say protein A and protein B. From tutorials (https://www.rosettacommons.org/demos/latest/tutorials/Protein-Protein-Docking/Protein-Protein-Docking), they say we need native but we having a hard time to understand how to create the native file. If someone can help us it would be great.

 

 

Post Situation: 

How to select docked models

Category: 
Docking

Dear all, 

I have generated 500 docked complex model with docking_protocol.linuxgccrelease using a command like this:

docking_protocol.linuxgccrelease\
  -s start_prepacked.pdb\
  -partners A_B\
  -dock_pert 3 8\
  -ensemble1 prot1_ensemble.list\
  -ensemble2 prot2_ensemble.list\
  -out:path:all docking\
  -nstruct 500 | tee docking.log

Post Situation: 

patch file modification for ser_phosphorylated.txt

Category: 
Chemically Modified Residues

Hello,

I have a modified residue named SPF in my pdb which is composed of Serine + Phosphopanthenine arm +acyl with SMILES  below.

I noticed phosphorylated SER exist in Rosetta database. Therefore,  I decided to model this modified residue by modifying ser_phosphorylated.txt patch file. My new patch and pdb file file has been attached.

After relaxing the pdb file with the option -extra_patch_fa ser_phosphorylated_acyl.txt in the following way:

Post Situation: 

How to create a native file for Protein-Protein docking

Category: 
Docking

Hi,

 

We are trying to dock two proteins, let say protein A and protein B. From tutorials (https://www.rosettacommons.org/demos/latest/tutorials/Protein-Protein-Docking/Protein-Protein-Docking), they say we need native but we having a hard time to understand how to create the native file. If someone can help us it would be great.

Post Situation: 

error when using script best_ifaceE.py

Category: 
Docking

Hi I have output my ligand-docked pdbs in silent out as both pdbs and in binary but regardless when I run the script to identify the top 10 percent based on IF delta score I get the following error.

 

FILE]: src/protocols/jd2/AtomTreeDiffJobInputter.cc

[LINE]: 132

[START_MESSAGE]

[ ERROR ] UtilityExitException

ERROR: No valid input structures found for AtomTreeDiff file.

 

 

 

[END_MESSAGE]

[END_CRASH_REPORT]

 

Post Situation: 

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