Difference between revisions of "Fabry:Structure-based mutation analysis/Journal"

From Bioinformatikpedia
(→‎Minimise)
(→‎Gromacs)
Line 28: Line 28:
   
 
== Gromacs ==
  
== Gromacs ==
−
[https://dl.dropbox.com/u/13796643/fabry/strucbased/scripts/gromacs_mutations.sh.html gromacs_mutations.sh] ../scwrl/models/*
 +
bash [https://dl.dropbox.com/u/13796643/fabry/strucbased/scripts/gromacs_mutations.sh.html gromacs_mutations.sh] ../scwrl/models/*

Revision as of 22:32, 21 June 2012

Fabry Disease » Structure-based mutation analysis  » Journal

Preparation


Vizualisation

Create mutation

SCWRL


Comparison energies

foldX

ln -sf /opt/SS12-Practical/foldx/rotabase.txt
wget http://www.rcsb.org/pdb/files/3S5Y.pdb
perl ../repairPDB 3S5Y.pdb > 3S5Y_repaired.pdb 
/opt/SS12-Practical/foldx/FoldX.linux64 -runfile run.txt

Minimise

bash call_minimise.sh

Gromacs

bash gromacs_mutations.sh ../scwrl/models/*
Retrieved from "https://i12r-studfilesrv.informatik.tu-muenchen.de/wiki/index.php?title=Fabry:Structure-based_mutation_analysis/Journal&oldid=24413"