[phenixbb] mr_rosetta pause & resume

Juergen Koepke juergen.koepke at biophys.mpg.de
Tue Jul 28 04:00:46 PDT 2015

Dear Tom,

I found in the phenixbb exactly my case discribed as you wrote on July 22nd, 2013 on reply of Morten Grøftehauge:

Hi Morten,

Yes, you'll need to specify the start_point (otherwise it will start from the beginning considering the solutions you have in the .pkl file along with ones that it finds along the way).

I don't know if rosetta3.5 makes a difference in mr_rosetta; I'd be happy to hear from anyone on this.

All the best,
Tom T
but unfortunately after launching the command "phenix.mr_rosetta mr_rosetta_params.eff start_point=rosetta_rescore mr_rosetta_solutions=./rebuild_results.pkl" I get the following error message:

Sorry: Unable to create temporary directory MR_ROSETTA_3
Error message is: The directory MR_ROSETTA_3 could not be created (it may already exist)
but this looks not logical to me since I am in directory MR_ROSETTA_3 because I want to restart were the program stopped after the crash. Do I have to restart the program from within another directory or what ist the trick? I must admit I first started without the start_point=rosetta_rescore until I realized the program had started my job from the very beginning. Thus i killed the processes again and tried the above with the start_point included. Has my previous attempt already confused something?
Dr. Juergen Koepke
Project Leader ESFRI-Instruct Core Centre
Max-Planck-Inst. of Biophysics
Dept. Molecular Membrane Biol.
Max-von-Laue Str. 3
D-60438 Frankfurt/Main

T: [49] 69 6303 1055
F: [49] 69 6303 1002
C: [49] 151 2263 6736
Email: juergen.koepke at biophys.mpg.de
URL: https://registration.cc.biophys.mpg.de

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