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creating a pose from a pdb style string

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creating a pose from a pdb style string


is there any possibility to create a pose from a pdb style string in pyrosetta?

from the "" script I can see that pymol can be made to listen for a pdb string sent from pyrosetta. i would like to go in the other direction directly passing a pdb string to pyrosetta in order to generate a pose. is this possible? and if so what is the necessary code for this?

i know that one can generate a pose from a pdb file but i would like to skip this step in order to save the time it costs to read/write from/to disk.

any help much appreciated,


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Fri, 2012-01-06 01:01

It's possible but there's no single method to call to get it that I am aware of. In C++, look at the file src/core/import_pose/, around line 196. This code has just read a file in above it (utility::slurp) and then hands the file contents (a PDB string as you request) off to a function createFileData, then a function build_pose from that FileData. I guess you can work on the python from there?

Fri, 2012-01-06 07:22

excellent! thanks to your help i found "rosetta.core.import_pose.pose_from_pdbstring(pose, pdb_str_in)" which does exactly what i want. thanks a bunch!

Mon, 2012-01-09 08:33

I thought that function existed! I couldn't find it when I was looking (brain fart, I guess) so I gave you more vague instructions.

Mon, 2012-01-09 08:37