mover “RepackMinimize” does not support chains > 2?

[Anonymous]

First off, even the documentation (https://www.rosettacommons.org/manuals/archive/rosetta3.4_user_guide/Movers_%28RosettaScripts%29#RepackMinimize) doesn’t really recommend using RepackMinimize – using a separate PackRotamersMover and MinMover (or TaskAwareMinMover) will allow for better control.

As for the error – it’s a horrible bug. It’s expecting min_rb to be vector of bools, one for each jump, but it’s assigning a single bool to the entry. And no, there’s no way to get around it. Either don’t set minimize_rb (it should default to all true anyway), or use use the separate PackRotamersMover/MinMover.

[Anonymous]

Rocco filed the bug here: https://carbon.structbio.vanderbilt.edu/mantisbt/view.php?id=274

[Anonymous]

Thank you for pointing out the bug.
Actually, the XML script I used here was adopted from protocol_capture/RosettaScripts/pp-interfaceredesign/flexbb-interfacedesign.xml, which was originally published in the paper ‘RosettaScripts: A Scripting Language Interface to the Rosetta Macromolecular Modeling Suite’. This script has four ‘RepackMinimize’ mover with one ‘Backrub’ mover to do the design.

[Anonymous]

I also found mover “BackrubDD” has attribute “partner1” and “partner2” but no “jumps”. I have checked the source codes of “BackrubDD” in protocols/protein_interface_design/movers/BackrubDDMover.cc, it has conditional block:
if( pose.conformation().num_chains() == 2 ){
}
else if ( !residues_.size() ) { // pose does not have 2 chains, backrub all (protein)
}
which means for structures with more than 2 chains, the “partner1” and “partner2” are meaningless, all residues will be moved.

[Anonymous]

Submitted to the tracker: https://carbon.structbio.vanderbilt.edu/mantisbt/view.php?id=275

By the way, I believe the Rosetta bug tracker should be open from submissions from non-developers. If you run across other bugs, feel free to make a bug tracker account and submit them yourself.

[Anonymous]

many thanks!
Hope to get version 3.5 released soon.

[Author]

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