Difference between revisions of "Structure-based mutation analysis TSD Journal"
From Bioinformatikpedia
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==FoldX== |
==FoldX== |
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[https://gist.github.com/2969611 callFoldx.sh] contains the code to run FoldX and also links to the configuration files. |
[https://gist.github.com/2969611 callFoldx.sh] contains the code to run FoldX and also links to the configuration files. |
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| + | ==Minimise== |
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| + | [https://gist.github.com/2972452 callMinimise.sh] handles all runs, including the five additional iterations per structure |
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Revision as of 14:26, 22 June 2012
Structure preparation
prepareFiles.pml applies all necessary changes to the entry 2gjx from the PDB.
Molecular mechanics
SCWRL
allmuts_*.sh creates the necessary files for SCWRL and also runs it on them.
FoldX
callFoldx.sh contains the code to run FoldX and also links to the configuration files.
Minimise
callMinimise.sh handles all runs, including the five additional iterations per structure
