Difference between revisions of "Normal mode analysis TSD Journal"
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Back to [[Normal mode analysis TSD|task]]. |
Back to [[Normal mode analysis TSD|task]]. |
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=Input= |
=Input= |
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| − | PDB file 2gk1 was used as input. Chain A was extracted and two files prepared, one containing only the protein part and one also containing the ligand NGT as ATOMs (instead of HETATMs) |
+ | PDB file 2gk1 was used as input. Chain A was extracted and two files prepared, one containing only the protein part and one also containing the ligand NGT as ATOMs (instead of HETATMs). All other HETATMs were removed in both cases. |
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=elNemo= |
=elNemo= |
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Revision as of 17:23, 27 July 2012
Back to task.
Input
PDB file 2gk1 was used as input. Chain A was extracted and two files prepared, one containing only the protein part and one also containing the ligand NGT as ATOMs (instead of HETATMs). All other HETATMs were removed in both cases.
elNemo
elNomo was run at the respective webserver at default parameters except that the cutoff for elastic interactions was increased to 10 from the default 8.
