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Category: 
Design

I am trying to replicate the work of the paper: http://www.nature.com/nature/journal/vaop/ncurrent/full/nature23912.html?foxtrotcallback=true

It seems the Rosetta Script in the supplimentary meterials is old because when I try to use it I get a lot of typo errors, anyway I changed it but I could not find a way to fix this error:

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dssp

Category: 
Structure prediction

Hello. I have a  questions about abinitio structure prediction.

How  to chang the DSSP code and let  β-bridge become L , when get a pose secondary structure. I try to change it, but I do not know how to write the code in the  dssp_state method of  StrandPairing.cc in core/scoreing/dssp directory.

Please teach me method,  if you know , thank you very much!

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problems with generating the params file

Category: 
Docking

I was preparing the ligand params file for docking. When I used the following command to generate params files, I always get the "Too many arguments!" error. 

​~/rosetta*/main/source/scripts/python/public/molfile_to_params.py \ -n XX -p XXX --conformers-in-one-file XXX.sdf 

How to fix this problem? Thank you in advance.

 

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How to perform abinitiorelax.mpi.linuxgccrelease in parallel mode with MPI

Category: 
Structure prediction

Hi,

I have compiled Rosetta3.8 successfully with the command " $./scons.py bin mode=release extras=mpi cxx=icc". But when I performed the command "mpirun -np 64 AbinitioRelax.mpi.linuxiccrelease @options", the error will be displayed in the end like this:

=========================================================================

===

=    BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES

=     PID XXXXX RUNING AT LOCALHOST.LOCALDOMAIN

=     EXIT CODE:11

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Comparative Modeling Tutorial Script not working

Category: 
Structure prediction

Hi All,

I am trying the tutorial of Comparative Modeling using Rosetta and I am not able to run this script  (<path-to-Rosetta>/Rosetta/demos/tutotial/rosetta_cm/scripts/clean_pdb.py 2RH1_ISOLATED A). The "path-to-rosetta" in my Mac is "Applications" and also I have the latest python version. Does the scripting change with python versions as well?? Any help in this regard is greatly appreciated.

Thanks

Srinivasan Krishnan

Post Situation: 

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