Member Site › Forums › Rosetta 3 › Rosetta 3 – General › Help deciphering an input
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Anonymous.
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September 22, 2021 at 8:12 pm #16020
Anonymous
The primary Rosetta documentation is here: https://www.rosettacommons.org/docs/latest/Home
Your starting point suggests you may benefit from the Meiler Lab recorded tutorials: http://www.meilerlab.org/index.php/rosetta-tutorials
> 1) I get that the ‘fix_bb_monomer_ddg.linuxgccrelease’ is invoking the packer (the syntax used in this code is weird cause I don’t see any underscores in my Rosetta though)
You are on command line. fix_bb_monomer_ddg.linuxgccrelease is the command. The remainder of the line is command line flags and arguments to those flags. fix_bb_monomer_ddg.linuxgccrelease specifically is one compiled rosetta binary – the portion before the . names the binary (there are a few hundred) and the portion after describes how it was compiled. I guess this command “invokes the packer” in a technical sense, but if all you want to do is repack you should use regular fixbb, as it is simpler and meant for the purpose.
> 1) What is the ‘ddg’? What does it mean and where does it come from? I have tried searching up Rosetta ddg on google but nothing really comes up for it.
DDG means delta delta G – the change of free energy of folding upon mutation. mutation is one delta, folding is one delta, g is gibbs free energy. DDG of mutation tools tell how how a protein’s energy will change when you mutate the sequence but leave the structure similar. You say you want to use minimization and repacking; you probably want regular old relax, not this tool that is a preparatory step for a particular ddg pipeline.
> 2) Why are there so many double colons?
C++ uses a double colon to indicate namespacing. I will rely on you to google namespacing in programming to learn about it. Rosetta namespaces its command line options because there are thousands and it’s a good way to resolve name conflicts. Double or single colons are permitted for command line flag namespacing. I assume we allow both because some people wanted singular for compactness, and others used double because they were used to C++ and it was easier to allow both. (It isn’t because the underlying code requires colons because it is C++, it’s just a case of progammers using familiar patterns.)
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September 23, 2021 at 5:13 pm #16021
Anonymous
Thank you so much!! That clears up a lot of stuff. I will also besure ot check out the Meiler lab stuff
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