DSSP: hydrogen atoms marked as "HN" are not processed
Summary
Apparently, hydrogen atoms connected to peptide bonds nitrogens are sometimes labeled as "HN" in structural files, a feature not supported by the current version of DSSP. Therefore, these hydrogen atoms crucial for determining secondary structures will be ignored by the program.
Exact steps to reproduce
- Run the
gmx dssp xxx
command for structures with alternatively labeled hydrogen atoms in peptide bonds.
For developers: Why is this important?
Adding support for defining new types of hydrogen atoms will expand the range of structures accepted as input.