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Rigidifying ligand

Submitted by Daniel_Levin on Sun, 2024-02-18 12:10
Category: 
Docking

I have a ligand with which I am trying to design a pocket in a synthetic protein.

Now the ligand doesn't have any rotatble bonds, because it's carbon chain is full of conjugated bonds,

However it keeps isomerizing some of the bonds,

is there any way I could completly fix the carbon chain?

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Rosetta 3 - General

Errors in RosettaAntibody distributed static linux binary

Submitted by marzen on Thu, 2024-02-08 12:12
Category: 
Compilation

Hello,

I am attempting to install a modern version of the RosettaAntibody protocol, and I’m encountering errors with the Linux binary of the protocol provided for commercial download (antibody.static.linuxgccrelease). For reference, I am using the latest available weekly release: 2023.45 from November 2023.

While other protocols from this binary distribution are working correctly in our hands, the RosettaAntibody is failing with the below compiler version error:

 

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Rosetta 3 - Build/Install

Cartesian_ddG mutfile error

Submitted by paulbo on Mon, 2024-02-05 01:25
Category: 
Design
Constraints

hello gus,

When i use catesian-ddg for protein stability, i want saturation site by all amino acied. but I Set  "1 A ALLAA" OR "C 1 ALLAA"(first site is  cys), all error.

and i type "total 9 

1

C 1 A 
1 
C 1  W 
1 
C 1  F 
1 
C 1  I
.....  " Enumerative method is OK. So， how I set mutfile more easy and clearly ? help!

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Forums: 
Rosetta 3 - General

Inquiry about MPI-Rosetta: Issue with -nstruct Parameter

Submitted by serena on Wed, 2024-01-24 00:59
Category: 
Structure prediction

Subject: Inquiry about MPI-Rosetta: Issue with -nstruct Parameter

Hello Rosetta community,

My name is Serena, and I have a question regarding the MPI-Rosetta forum. I hope to articulate my issue clearly.

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Unsolved
Forums: 
Rosetta 3 - Applications

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