"""
Author: "Keitaro Yamashita, Garib N. Murshudov"
MRC Laboratory of Molecular Biology
    
This software is released under the
Mozilla Public License, version 2.0; see LICENSE.
"""

"""
restraints:
  make:
    hydrogen: all
    hout: no
    check: no
    #build: no
    #form:
    #pept:
    link: no
    #sugar:
    cispeptide: yes
    symm: no
    conn: no
    chain: no
    newligand: exit
    #value: energy
    #exit: no

  weights:
    distance: 1.0
    angle: 1.0
    plane: 1.0
    chiral: [1.0, 0.15]
    bfac: [1.0, 1.5, 2.0, 3.0, 4.5]
    sphericity: 2.0
    rbond: 2.0
    ncsr: null # two kinds of definitions possible
    torsion: 1.0
    vdw: 1.0

  set:
    bfac: null

  vdwr:
    sigma_vdw: 0.3
    sigma_hbond: 0.5
    sigma_metal: 0.5
    sigma_torsion: 0.5
    sigma_dummy: 0.3
    incr_torsion: -0.75
    incr_adhb: -0.2
    incr_ahhb: 0.2
    incr_dummy: -0.7
"""
