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cartesian_ddg output

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cartesian_ddg output

I am following the protocol

to predict the ddG of a monomer after a point mutation. I am using Rosetta 3.10.

The output file, mutfile.ddg, looks like this:

COMPLEX:  Round1: WT ...

COMPLEX:  Round2: WT ...

COMPLEX:  Round1: MUT_1ALA ...


Instead of COMPLEX, I was expecting to see lines beginning with


as in the documentation for a monomer. Is there something I am doing wrong that the program is computing an interface ddg instead of a monomer stability ddg?


Here is the command I am running

cartesian_ddg.static.linuxgccrelease \
 -database $ROSETTADB \
 -s structure.pdb \
 -ddg:mut_file $MUTFILE  \
 -ddg:iterations 3 \
 -ddg::cartesian \
 -ddg::dump_pdbs true \
 -bbnbr 1 \
 -fa_max_dis 9.0 \


and the mutfile

total 1
S 1 A

Post Situation: 
Thu, 2018-10-11 14:58

How recent is your version of Rosetta. There were some updates to the ddg code that were accidentally put on by default that could be causing this behavior. Can you try adding the flag -ddg:legacy true\ and see if that produces the expected output?

Thu, 2018-10-11 15:15

It's Rosetta 3.10.

-ddg:legacy true gives an error:


File: src/utility/options/
Option matching -ddg:legacy not found in command line top-level context

Fri, 2018-10-12 04:43