HGEN (CCP4: Supported Program)
- generate hydrogen atom positions for proteins
Generates hydrogen atoms for a protein coordinate file with standard
geometry, using a bond length of 1.0 Å. The program operates on
Brookhaven files. There is a library specifying which atoms in a
particular residue type have H atoms attached to them embedded in the
There is only one line of input which determines whether the generated
hydrogens are merged with other atoms or whether they are put in a separate
hydrogens in seperate file;
hydrogens and protein merged.
By default (e.g. for immediate end-of-file) the hydrogens are appended.
Unix example script found in $CEXAM/unix/runnable/
Output coordinates - either hydrogens alone, or merged with protein
according to the input line.
Simon Phillips. Rewritten by Z. Dauter, modified by Victor S. Lamzin.