Hydrogen bonds (HBONDS)

• Introduction.
  • The parameters for the older HBO options.
  • The parameters for the new HB2 options.
• Listing hydrogen bonds (SHOHBO)
• Display hydrogens (GRAHYD)
• Show and display intra residue hydrogen bonds (SLFHBO)
• Show hydrogen bond parameters (SHOPAR)
• Initialize hydrogen bond parameters (INIPAR)
• (RE-)SET HYDROGEN BOND PARAMETERS (PARAMS)
  • Donor acceptor distance (DONACD)
  • Hydrogen acceptor distance (HYDACD)
  • Angular error over the acceptor (ANGERA)
  • Angular error over the hydrogen (ANGERH)
  • Graphics mode of hydrogen bonds (LINTYP)
• Evaluate one hydrogen bond (ONEHBO)
• Determine hydrogen bonds for one atom (1ATHBO)
• Determine hbonds in a sphere (SPHHBO)
• Hydrogen bonds as function of secondary structure (HSTHBO)
• Backbone or sidechain hydrogen bonds (BSSHBO)
• Hydrogen bonds for one residue (1AAHBO)
• Selected hydrogen bonds (FILHBO)
• Initialize the HB2 routines with the current soup (HB2INI)
• Reset the coordinates to original values (HB2RES)
• Find the best hydrogen bond network (HB2NET)
• Create new PDB file including hydrogen atoms (HB2MAK)
• Show HB2 hydrogen bonds graphically (HB2GRA)
• List HB2 hydrogen bonds textually (HB2LIS)
• Show list of flipped residues and unusual groups (HB2LFR)
• Show list of not donating buried donors (HB2LUH)
• Show list of not accepting buried acceptors (HB2LUA)
• Show some extra statistics (HB2XST)
• Add a wanted hydrogen bond (HB2AWB)
• Clear list of wanted hydrogen bonds (HB2CWB)
• Show list of bifurcated hydrogen bonds (HB2LBF)
• Set the flip penalty (HB2SPN)