Hello, everyone
I was trying to study the effect of post-translational modifications on the structure of proteins. For that purpose, I followed two different approaches:
-
I modified the residue with a variant using
pyrosetta.rosetta.core.pose.add_variant_type_to_residue. Then, I replaced the original residue with the modified one usingpose.replace_residue(). -
I tried using
pyrosetta.rosetta.core.pose.add_variant_type_to_pose_residueto directly modify the residue in the pose.
In both cases, I obtained None as a result, but I would like to obtain a modified pose in order to calculate the ΔΔG value. Does anyone know how I can achieve that? Any suggestions would be appreciated.
Thanks in advance,
Diego
Category:
Post Situation:
When you say you "recieved None as a result", what does that mean?
Both of the functions you mention will modify the Pose object you pass to them. They change the single Pose object. As such, they're not going to have a sensible return value, so if you're examining the return value of those functions in Python, you'd get the None object back.
Okay, what I meant was that when I executed the functions, I wanted to see if the modification was really added in the aa chain of the pose. So, even though it returns the None object, can I calculate its ΔΔG value using that pose?
Thank you very much for your answer
Yes. The Pose is modified in place. So you can use the Pose object you pass to the functions as the modified version you'll use in downstream protocols.
Great! Thank you again for your help