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Error with residue selectors not counting indices correctly.

Category: 
Design

I have a 4 chain, 96 residues long PDB file. all four chains are identical, so I set up my rosettascript with the following indices to select each chain to mutate them.

<Index name="chain1" resnums="1-24"/>

<Index name="chain2" resnums="24-48"/>

<Index name="chain3" resnums="48-72"/>

<Index name="chain4" resnums="72-96"/>

However I get the follwoing error message when running this script: 

Post Situation: 

core.pose.util: (0) {0} [ ERROR ] Can't find residue type 'UNK' in type set of mode fa_standard

Category: 
Design

Hello there,

I am trying to run a protocol published on nature protocols about "Modeling and docking of antibody structures with Rosetta".But when I run the application using the fasta sequence (shown as follows) provided in the article antibody,

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Method for adding residues into PDB's w/ RosettaScripts.

Category: 
Design

I have been trying to insert residues into a PDB and then relaxing with Rosetta using rosettascripts. Currenlty I have managed a way to replace specified residues with another direct subsitution, but can;t figure out how to directly add more residues. I'm attempting another method by manually adding "dummy" residues into the pdb and then having rosetta replace those with the desired reisdue.  Would it be something accomplished using a resfile instead of a Rosettascripts function?

<ROSETTASCRIPTS>

<SCOREFXNS>

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Error when trying to use xml script to design PDB

Category: 
Design

I am trying to mutate and relax the 7ah0 pdb using the following xml script:

<ROSETTASCRIPTS>

<SCOREFXNS>

<ScoreFunction name="sfxn" weights="ref2015"/>

</SCOREFXNS>

<RESIDUE_SELECTORS>

<Index name="res1" resnums="388A"/>

<Index name="res2" resnums="389A"/>

<Index name="res3" resnums="390A"/>

<Index name="res4" resnums="391A"/>

<Index name="res5" resnums="392A"/>

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Rosetta remodelling - how to change the added residue type instead of just VAL

Category: 
Design

Dear sir,

I am new to Rosetta. I followed the rosetta protocol to pad a few residues to N, C terminals of my protein. I follow the remodel.static.linuxgccrelease instructions. Created pad.bd as below. Then I run "rosetta_bin_linux_2021.16.61629_bundle/main/source/bin/remodel.static.linuxgccrelease -in:file:s 1mhp_H_0001.pdb -remodel:blueprint 1mhp_padpadded   -remodel:dr_cycles 1 -num_trajectory 1 -save_top 1" . but it only added Val reisidues. I want to added non-specified residues but not all into VAL. how to fix this? Kind regards.

 

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Truncating a protein using rosetta

Category: 
Design

I am a beginner to rosetta, and I was wondering if there is a way to truncate/ get rid of a specific part of a sequence and create a stable protein? I have the PDB of the protein and the specific parts of the sequence I need to truncate. It is to get rid of loops at the terminus. Do I just input a sequence to rosetta with the unwanted parts deleted and have it model the protein ?

Sequence : 

G-SPELREKHRALAEQVYATGQEMLELREKHRALAEQVYATGQEMLKN-TSN

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How to add uncommon metal elements into Rosetta and make it recognizable?

Category: 
Design

HI everyone, I want to RosettaMatch to introduce a ligand into a scaffold protein, but the ligand contains uncommon metals like Rh, I am afraid Rh is not recognizable like Fe by Rosetta. 

So I want to ask about how to add a new metal element to Rosetta, and how many files should I edit to make sure it's done? As far as I know, maybe I have to edit atom_type_sets and residue_types sets under database/chemical/, but more specifically, I have no idea.

Any suggestions would help!  And thanks for you time and effort.

Post Situation: 

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