RMSD filter
Submitted by Soler on Sat, 2022-01-15 22:09
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Question about py import rosetta.core
Submitted by danbo on Thu, 2022-01-13 00:40
Category:
Structure prediction
When I run the py file,it occured:
from rosetta.core.scoring.sasa import SasaCalc
ModuleNotFoundError: No module named 'rosetta.core'
I don't know how to handle it, thanks for every help
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Questions of Cartesian_ddG calculation in PyRosetta
Submitted by CKS2001 on Fri, 2022-01-07 01:36
Category:
PyRosetta
Dear All,
I am new to PyRosetta and I am trying to calculate the ddG after point-mutation. The calculation logic is like the following:
1) clean the pdb file and use cartesian relax to minimize its energy
2) perform the point mutation with mutate_residue() function
3) calculate the score before and after the mutation to gain the ddG
However, the ddG data I got was always positive values and have large differences from the benchmark.
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I need help with cst file the paper: De Novo Computational Design of Retro-Aldol Enzymes
Submitted by Wenithor on Thu, 2022-01-06 12:20
Category:
Design
How i can do cst file this theozyme?
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Collect data about the modelling
Submitted by Roberto on Thu, 2022-01-06 01:43
Design strategy - One chain at a time OR two chains together?
Submitted by tlopes on Wed, 2022-01-05 18:19
Category:
Design
Hello folks,
this is a conceptual question.
The protein I am working with has 2 domains (2 chains), and I would like to redesign part of the surface of each domain AND the interface between those domains.
I see two possibilities here (maybe there are more):
Option #1- Break the design into three smaller problems - i.e., design only chain A, then design only chain B, and finally, design the interface (5 residues + 7 residues + 11 residues).
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Protein design: Ligand binding between two units of a homodimer
Submitted by chemotaxis_123 on Sun, 2022-01-02 16:01
any examples of calling SnugDock from pyrosetta?
Submitted by antonkulaga on Thu, 2021-12-23 16:13
Category:
Docking
I am writing a python script that will do docking for my antibody-antigen samples, however, I could not find any SnugDock code examples with pyrosetta. Could you please give at least one?
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ERROR: APBS failed to generate the result file.
Submitted by bhavranek on Sat, 2021-12-18 11:01
Category:
Design
Hello all,
I am running the protocol from here https://github.com/LPDI-EPFL/RosettaSurf/tree/main/scripts/interleukin_benchmark. The .xml script works fine however I keep getting the following error at the end:
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simple_cycpep_predict with N-term acetylation
Submitted by Ken on Fri, 2021-12-17 09:49
Category:
Chemically Modified Residues
Hi all,
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