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Computes the DSSP file using an in-house version of the DSSP software.
mkdssp(pdb, method = 'ptm', exefile = "dssp")
Returns either a dataframe containing the information extracted from the dssp file (method ptm), or a list with that information (method bio3d).
is either a 4-character identifier of the PDB structure, or the path to a pdb file.
a character string specifying the desired method to get the dssp dataframe; it should be one of 'ptm' or 'bio3d'.
file path to the DSSP executable on your system (i.e. how is DSSP invoked).
Juan Carlos Aledo
The structure of the output data depends on the method chosen, but it will always contain the DSSP-related data.
Touw et al (2015) Nucl. Ac. Res. 43(Database issue): D364-D368 (PMID: 25352545).
download.dssp(), parse.dssp(), compute.dssp() and acc.dssp()
if (FALSE) mkdssp('3cwm', method = 'ptm')
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