Difference between revisions of "Structure-based mutation analysis TSD Journal"
From Bioinformatikpedia
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[https://gist.github.com/2966798#comments allmuts_*.sh] creates the necessary files for SCWRL and also runs it on them. |
[https://gist.github.com/2966798#comments allmuts_*.sh] creates the necessary files for SCWRL and also runs it on them. |
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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. |
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Revision as of 01:57, 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.
