Amino acid data
Various properties of the amino acid types can be specified in the form of a YAML file.
amino acid data:
default atom data:
(atom name): quantity [L]
amino acids:
(amino acid name):
mass: quantity [M]
alt atom radii:
(atom name): quantity [L]
side: list of atom names
radius: quantity [L]
polarization: one of [hydrophobic, polar]
charge: quantity [(dim of e)]
contact limits:
back: integer
side (all): integer
side (hydrophobic): integer
side (polar): integer
The fields alt atom radii
, polarization
and charge
are optional. For more
info, see the amino acids
entry in
the default.yml
file.