data_energy
#
loop_
_lib_atom.type
_lib_atom.weight
_lib_atom.hb_type
_lib_atom.vdw_radius
_lib_atom.vdwh_radius
_lib_atom.ion_radius
_lib_atom.element
_lib_atom.valency
_lib_atom.sp
_lib_atom.vdw_radius_neutron
#
#  _type         atomic chemical type
#  _weight       atomic weight
#  _hb_type      donnor/acceptor's type:
#                     N=neither
#                     D=donnor
#                     A=acceptor
#                     B=both
#                     H=hydrogen candidate to hydrogen bonding
#   _vdw_radius  Van-Der-Waals radius
#   _vdwh_radius  Van-Der-Waals radius for atom+H
#  Ionic radii for most of the atoms without hydrogens are
#  http://www.webelements.com/webelements/elements/text/radii/N.html
#
#  or
#  Chemstry of the elements by Greenwood and Earnshaw
#  VDW radii of carbon atoms with hydrogen have been taken from paper
#   Li and Nussinov, Proteins, 32 111-127 (1998)
#
# Oxygen values changed to match Molprobity
#
 OS      15.99940  A     1.40     1.50    1.28   O   2  2  .
 O       15.99940  A     1.40     1.50    1.28   O   2  2  .
 O2      15.99940  A     1.40     1.50    1.28   O   2  3  .
 OH1     15.99940  B     1.40     1.50    1.28   O   2  3  .
 OH2     15.99940  B     1.40     1.50    1.28   O   2  3  .
 OHA     15.99940  B     1.40     1.50    1.28   O   2  3  .
 OHB     15.99940  B     1.40     1.50    1.28   O   2  3  .
 OHC     15.99940  B     1.40     1.50    1.28   O   2  3  .
 OC2     15.99940  A     1.40     1.50    1.28   O   2  2  .
 OC      15.99940  A     1.40     1.50    1.28   O   2  2  .
 OP      15.99940  A     1.40     1.50    1.28   O   2  2  .
 OB      15.99940  A     1.40     1.50    1.28   O   2  2  .
