I have an Ubuntu 22.04 system, and I am stuggling to install DAlphaBall. I have compiled the stable Rosetta version with hdf5 support, but when I do make on DAlphaBall I get the following:
I have a structure i have been working with for a while, and I wish to replace the last residue in the sequence with a cysteine. I have tried to write a xml script that would perform the spot mutation, but I could not figure it out. Is there a specific rosetta function or way to perform spot mutations? I have also considered just manually replacing the residue with cysteine, and relaxing the structure through rosetta, but i'm not sure if the cysteine would stay in the sequence.
I am attempting to use the rosetta FixedBB design application to investigate possible conformation changes that may occur given a single point mutation whilst taking into account romaters. However, as an initial run of the application I do not change any residues or rotamers as I just want to see how this application works, but the resulting output differs from the input structure in that the beta sheets are not visible when visualized.
Hello,
I am attempting to follow a recent publication released by the Baker group. I am using this cst file to constrain an iron atom to a histidine:
https://github.com/ikalvet/heme_binder_design/blob/main/theozyme/HMM/HMM_His.cst
I have renamed the HMM residue to match with my ligand name.
Hi,
I've been trying to use the Anibody Designer but i was unable to use PyIgClassify webserver to renumber and label the CDRs in my PDB file. I am also unable to get it to find CDRs in any antibody pdb file even thoughs its within the database. I would also like to find the schema for how the CDRs are marked within the text of the renumbered PDB file. Any help would be appreciated.
Thanks,
Will
Hello,
I was trying to work with the "calculate protein-protein ddG" tutorial. The tutorial comes with a resfile for mutating an Alanine with Tryptophan at residue 98. Following the steps gives, I get a ddG value of -6.6533 REU.
However, when I replace the line "98 D PIKAA W" with "98 D PIKAA A" (i.e. esentially replacing the alanine with alanine), I'm still getting a ddG value of 6.6643 REU. Can anyone point out why I might be getting a non-zero ddG even though I'm not even 'mutating' the proteins.
Regards,
top-gun98
Hello,
I am running a design xml script and for some of my systems the run crashes with the following error:
Hello, i am a masters student trying to play around with rosetta. And i have a project in mind. I have two protein structures: nanocages. each with 60 monomers but the chains are a little bit different with different aa profiles. Now what I want to do is to make a structure with the backbone conformation profile of one of the nanocages but with the amino acid profile of the other one. How do i go about doing this? I'm sorry if I wasn't clear english is not my native language.
Thanks for your help in advance.
Dear all,
I am designing some peptides with the anchor_design approach. I am using the dG_separated values to compare them. For this, I included an InterfaceAnalyzer mover in my anchor_design xml script as follows:
Hello all,
I am keen on creating a custom Antibody design protocol for a problem.
