ex_peptide_hydrogen

ex_peptide_hydrogen reconstructs peptide hydrogen atoms using BioShell algorithm,

where amide H is placed in reference to its N atom. Resulting coordinates are printed on the screen. The program also computes the amide-H positions using DSSP approach and calculates the average error (in Angstroms) between the two methods.

USAGE: ex_peptide_hydrogen 5edw.pdb

Keywords:

Categories:

  • core::calc::structural::peptide_hydrogen()
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