大家好！
我想为新底物设计甲基转移酶。该酶依赖于小分子作为甲基供体 (SAH)。因此，我使用 -extra_res_fa 参数将 SAH 包含为应用的输入。CST 文件包含三个约束：约束 1 涉及底物和 HIS 残基，约束 2 涉及底物和 ARG 残基，约束 3 涉及底物和 SAH。而SAH位于PDB的最后一个块。
Hello,
I am relatively new to Rosetta, and i am trying to generate a constraint file (.cst) with my catalytic amino acid and ligand defined, that i am going to use to search against a PDB database. However, no matter how hard i try i keep obtaining this error:
Hi all,
I was running the Match application and :
1. I noticed that some outputted PDBs are annotated in the log file as follows (I am using cloudPDB as output format):
I experience difficulties when submitting an enzyme PDB file with the
substrates AMP and a non-proteinogenic amino acid to the RosettaDesign webserver.
AMP is well accepted but problems arise with the amino acid substrate.
Hey, I am pulling my hair out over this. I am trying to convert all residues in a protein to poly-Gly/Ala (for example 1ae1.pdb) but cannot find the Rosetta function to do so. I am replicating a paper where they included code and output, the output appears to be typical Rosetta output (the .pdbs are like 3tzc___1.pdb) which I am assuming were generated with a Rosetta function.
Hi everyone:
I used Enzyme Design application to get a series of enzymes with ligand(transition state of my target reaction). Now I want to inspect the free energetic change upon the protein transition state binding.
So I first look into the ddg_monomer application, and I find this application is suitable for comparing ddg energy between wild-type protein and its mutant structures. This can't meet my needs.
Hi there!
