AU.params

# this is just copper rebranded
# I think right now that Mini has to have at least three atoms per residue,
# hence the virtual atoms.
NAME AU
IO_STRING  AU X
TYPE LIGAND
PROPERTIES METAL
AA UNK
ROTAMERS BASIC
ATOM AU   Cu2p  Cu2p 2.00
ATOM  V1  VIRT  VIRT 0.00
ATOM  V2  VIRT  VIRT 0.00
ATOM  V3  VIRT  VIRT 0.00
ATOM  V4  VIRT  VIRT 0.00
BOND AU    V1
BOND AU    V2
BOND AU    V3
BOND AU    V4
NBR_ATOM AU
NBR_RADIUS 5.0
NET_FORMAL_CHARGE +2
# tetrahedral geometry with 2.2 distance from center to vertex
# chirality is defined so that viewing from V1 to CU, V2-V3-V4 are in clockwise direction.
ICOOR_INTERNAL   AU      0.000000    0.000000    0.000000  AU     V1    V2
ICOOR_INTERNAL    V1     0.000000    0.000000    2.200000  AU     V1    V2
ICOOR_INTERNAL    V2     0.000000   70.500000    2.200000  AU     V1    V2
ICOOR_INTERNAL    V3   120.000000   70.500000    2.200000  AU     V1    V2
ICOOR_INTERNAL    V4  -120.000000   70.500000    2.200000  AU     V1    V2