Hello, I am very new to PyRosetta, so this might not make a lot of sense. What I'm trying to do is minimise the energy of a given pose. I don't know much about this, so any tips about how to approach it and which instruments to use would be appreciated. Thank you.
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I am learning the basics of pyrosetta from this tutorial
but when I enter the code verbatim I get an error.
is something wrong with the syntax they give? trying to do this:
I was using a script i wrote last year regarding motif grafting, but it no longer works, i suspect a pyrosetta update issue.
anyway, i am looking through the errors and it seemed the pyrosetta.rosetta.protocols.motif_grafting.movers.MotifGraftMover's init_parameters() have some additional arguments that is must have.
my code is as follows:
Does anyone have experience adding custom atom types to Pyrosetta? I have tried creating my own `atom_properties.txt` file, shown below.
NAME ATOM LJ_RADIUS LJ_WDEPTH LK_DGFREE LK_LAMBDA LK_VOLUME
A1 X 2.0000 0.0486 1.0000 3.5000 23.7000
A2 X 2.0000 0.2000 1.0000 5.0000 23.7000
VIRT VIRT 0.0000 0.0000 0.0000 3.5000 0.0000 VIRTUAL
recently, i doing the Exercises of workshop6, but i found i was confused about the packing and design in rosetta...
Anybody can help to figure out why the two setting method of PACK （def pack1 and def pack2) return different energy？it should be the same as i think！
if i run pack1 followed by pack2, then it return the same(lower) energy. it seens that the design energy is not optimized. so should i set another packing after the design?
thanks if anyone can help.
Good morning everyone~
Recently, I had read the paper entitled "De novo design of potent and selective mimics of IL-2 and IL-15”
And I am very interesting in it, and I want to learning how to performing it in using pyrosetta.
However, in the Code availability section, I can not find any information about the submodule