HGEN (CCP4: Supported Program)
NAMEhgen - generate hydrogen atom positions for proteins
SYNOPSIShgen xyzin input.brk xyzout output.brk
DESCRIPTIONGenerates 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 code.
KEYWORDED INPUTThere 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 file.
HYDROGENS SEPARATEhydrogens in seperate file;
HYDROGENS APPENDhydrogens and protein merged.
By default (e.g. for immediate end-of-file) the hydrogens are appended.
EXAMPLESUnix example script found in $CEXAM/unix/runnable/
AUTHORSimon Phillips. Rewritten by Z. Dauter, modified by Victor S. Lamzin.