I want to insert/delete residues in sequences. My goal is to take mutant sequences, have them become similar sequences of the WT and focus on each mutation. Is that possible?
Example: ABABA, and I want to insert "C" into the third position so it would look like this ---> ABCABA
Hello,
I am trying to mutate a pose with beta-amino acid residues. From what I've tried and read, it's impossible with both mutate_residue and MutateResidue mover, because they only take one letter representations of the residues. My hope is that I can figure out how to do it through packing. I'm not sure how to make it work properly.
This was just my test code to see what would work:
pose = pose_from_sequence('A'*20)
test_pose = Pose()
test_pose.assign(pose)
mutant_position = 3
Hi, I am trying to implement the Generalized Simulated Annealing routine (Tsalis et al, 1996) and apply it on folding processes.
To do so, I code the mover w.r.t. dihedral angles (each step phi and psi sufer a small, guided perturbation). I am using the pose.set_phi and .set_psi methods to modify pose coordinates.
The problem:
I am trying to use IntearctiveRosetta on windows 10 environment and have zero knowledge about coding.....could anyone help me to solve this error......which comes up when I do a position scan using IntearctiveRosetta.....
Traceback (most recent call last):File "scripts\daemon.py", line 2024, in daemonLoopdoPMutScan()File "scripts\daemon.py", line 503, in doPMutScanos.rename("scanprogress", "scanoutput")WindowsError: [Error 32] The process cannot access the file because it is being used by another process
Hello,
I'm looking for gradient descent in pyrosetta. But, I can't find it. What is exactly the name of gradient descent in pyrosetta?
Hey there.
I run a Linux subsystem (Linux 4.19.128-microsoft-standard x86_64) on Win10 (Build 19041.508) with wsl2 and Ubuntu 20.04.1 LTS. I successfully installed PyRosetta 4 (python 3.8 release 265).
Python: 3.8.2
On my windows I installed Pymol 2.4.1 198.
If I tell PyMOL to execute the PyMOL-RosettaServer.python3.py script from PyRosetta folder,
-> run \\wsl$\Ubuntu-20.04\home\[User]\PyRosetta4\PyMOL-RosettaServer.python3.py
Hello,
Is there a way to retrieve the number of iterations performed by a min mover, either from the mover itself or from the log trace ?
For example with the following code, how could I find out if it stopped at 500 iterations or reached the tolerance threshold earlier?
I am a new user of Interactive Rosetta, I use the software as guided in the tutorial. But when I want to "Thread" my protein, it came up with the message "Server Could Not Be Reached". I have already tried with several different Internet connection, but it still came up with this message. May I know how can I solve this problem? Thank you!
Description of the message:
The comparative modeling job could not sent to the server! Verify that you have an Internet connection and that the server is running.
Hi all,
I am trying to modify the trRosetta scripts to run it with a ligand (heme; I added few distance constraints between the protein residues and atoms in the ligand).
I ran molfile2params with the -c flag and have both centroid and full atom params and pdb files of the ligand. I inserted the ligand to the pose and converted it to centroid mode for the initial folding calculations. When I add my ligand constraints prior to the minimization stage, after all the network constraints are read, I get the following error:
The online documentation for pyrosetta is great. However, one problem is that the __init__ is not documented as it's handy to know what are the possible arguments for the class.
