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

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==Minimise==
  
==Minimise==
  +
bash [https://dl.dropbox.com/u/13796643/fabry/strucbased/scripts/call_minimise.sh.html call_minimise.sh]
−
call_minimise.sh
  
   
 
== Gromacs ==
  
== Gromacs ==

Revision as of 23:32, 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

gromacs_mutations.sh ../scwrl/models/*
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