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This line has the format:
Template: 111222tttsssxxxrrrccc Example: 1 2 2 0
Where:
111 is the first atom number, which must be between one and the number
of atoms in the connection table.
222 is the second atom number, which must be between one and the
number of atoms in the connection table.
ttt is the bond type. For discrete molecules, this field may have
the value "1" for single bonds, "2" for double bonds and "3" for triple
bonds. Substructure queries may specify the additional values, "4" for
an aromatic bond, "5" for a single or double bond, "6" for a single or
aromatic bond, "7" for a double or aromatic bond and "8" for any bond.
sss is the bond stereo. This field is not currently honored by
OpenEye's "mdl2sma" program. For single bonds, this field is used to
represent either a wedge or a hash, where the thin end of the wedge/hash
bond is the first atom (field 111) and the thick end is the
second atom (field 222 above). For single bonds, the value "0"
indicates not stereo, the value "1" represents up (or wedge), the value
"6" represents down (or hash), and the value "4" represents either.
For double bonds, this field contains either "0" indicating the cis vs.
trans stereochemistry should be taken from the coordinates in the atom
block, or "3" indicating that this bond is either cis or trans.
xxx is not used.
rrr is the bond topology, used in substructure queries. The default
value, zero, allows either ring or chain bonds (cyclic or acyclic
respectively), the value "1" will only match ring (cyclic) bonds and the
value "2" will only match chain (acyclic) bonds.
ccc is the reacting center status and is used only for queries
of reactions. This field is currently ignored by OpenEye's "mdl2sma"
program.
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