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Running pymol mover on windows 10

Category: 
PyRosetta

I am trying to get pymol mover to work in jupyter notebooks along with pyrosetta. I am working on windows 10 using a linux subsystem.

PyRosetta works great. I have installed pymol via anaconda3 and I have files that are a part of pymol that I can see in my terminal. When I run the following

 

from pyrosetta import PyMOLMover
pymol = PyMOLMover()
pymol.apply(pose)

 

Post Situation: 

Relaxation vs minimisation

Category: 
Structure prediction
Scoring
PyRosetta

Hi all,

I am very new to the computational structural biology community and I have tried to model a structure by using a software which runs MODELLER on the background. However, my result shows a number of steric clashes and a very high fa_rep when I calculate it with PyRosetta. I am therefore trying to improve the structure before moving on with the rest of my analysis. 

Post Situation: 

Distorted metal coordination geometry after relaxation (SetupMetalMover was used, fold tree and constraints were set manually)

Category: 
Design
Scoring
Constraints
PyRosetta

 

Hello,

I am trying to relax Zn containing peptides like zinc fingers, but always got distorted geometries of the coordination site and much higher scores after the relax. Still, the rest of the peptide looks nice.

Post Situation: 

Problem Installing PyRosetta/InteractiveROSETTA

Category: 
PyRosetta

I am attempting to install PyRosetta/InteractiveROSETTA on my 64bin Debian Stretch Linux platform and have encountered some problems.

Although the installation of InteractiveRoasetta encountered some problems:
 

Post Situation: 

All self-test.py tests fail after installation

Category: 
PyRosetta

Hello Rosetta community

I am trying to install Pyrosetta3.7 in Linux-windows. The installation appears to go without a hitch. But then when I run the self-test.py script, all tests fail. Error messages look like the one below

Post Situation: 

trans-ACPC

Category: 
PyRosetta

Hello!

I've been trying to create a pose with trans-ACPC, but when I use the X[TAC] in the sequence, it doesn't seem to know what residue it is. I know there's a params file for it... I tried loading a pdb structure with ACPC in it as my pose to see what'd happen and it says that:

"ERROR: Error in core::scoring::methods::RamaPreProEnergy::residue_pair_energy(): The RamaPrePro term is incompatible with cyclic dipeptides (as is most of the rest of Rosetta)."

Post Situation: 

Rosetta get_fa_scorefxn()

Category: 
PyRosetta

I am using PyRosetta to minimize several complexes and obtain the rosetta calculated energy values. In order to obtain all the rosetta scoring terms, I am using the get_fa_scorefxn function. Whereas I want to retain all the scoring terms, the only option that seems available to see all of them is with the following lines:

scorefxn = get_fa_scorefxn()

pose = pose_from_pdb(<minimized_complex_pdb>)

scorefxn.show(pose)

Post Situation: 

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