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Scoring

InterfaceDdGMover and ResfileReader

Submitted by asaf.farhi on Wed, 2022-04-13 15:05
Category: 
Scoring

Dear all,

I have two issues with Rosetta and I would really appreciate your help.

The first one is in InterfaceDdGMover 

"In InterfaceDdGMover, there are no valid chains to translate when unbinding!"

The second one on another system is in ResfileReader:
"On line 3, the pose does not have residue with chain=B, PDBnum=417."

Thank you very much,

Best regards,

Asaf

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Rosetta 3 - General

Differentiable Energy Function w/ Centroid Representation

Submitted by protein_fan on Sun, 2022-03-20 09:39
Category: 
Scoring

Hi!

I have a protein complex that's represented in terms of the sequence, the pairwise distances between the CA atoms, and the phi and psi dihedral angles. These distances and dihedral angles should be reasonably correct. I do not have access to the coordinates (N,CA,C,O, etc.) of this protein complex. 

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Rosetta 3 - General

Modelling at defined pH - for pmutscan - pH:mode not working

Submitted by cagfa1 on Tue, 2022-03-15 04:05
Category: 
Scoring
Loop Modeling
Chemically Modified Residues

Hi all, 

I am new to Rosetta and using various Rosetta protocols, primarily remodel and pmutscan, to assess the impact of various mutations on protein stability. I would like to model the protein and associated mutations at acidic pH as this may affect salt bridge formation and overall REU score.

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Rosetta 3 - Applications

I_sc

Submitted by Soler on Sat, 2022-02-12 00:16
Category: 
Scoring

Hello, I would like to use or be able to visualize in the score file some terms or information related to docking and similar protocols, for example, interface_score and rms in other scoring functions executing other movers. Can this be done with flags? I hope you can help me, thanks.

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Rosetta 3 - General

Question about running scallo

Submitted by danbo on Mon, 2021-11-29 23:25
Category: 
Scoring

 I am trying to run code on https://github.com/strauchlab/scaffold_design

but it occur an error :

basic.io.database: [ WARNING ] Unable to locate database file scoring/score_functions/aa_composition/%%aa_comp%%.comp
Error: [ ERROR ] ERROR: Exception caught by JobDistributor while trying to get pose from job 'startingstub_0000_0008_0001'
Error: [ ERROR ] 

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Rosetta 3 - Applications

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