Tripos Mol2 File Format
16 Compatible with SYBYL 8.0 and Beyond
@<TRIPOS>ASSOCIATED_ANNOTATION
Each data record associated with this RTI contains a unique identifier followed
by the SPL description of the annotation. The sequence of data records is
repeated for additional annotation objects.
Format:
feature_name
object_spl
END#OF#OBJECT
[feature_name
object_spl
END#OF#OBJECT]...
• feature_name = a string identifying the feature.
• object_spl = the SPL necessary to reconstruct the annotation object
• END#OF#OBJECT = the string “END#OF#OBJECT“, used as a termi-
nator
The SPL generated by SYBYL for annotation objects is written so that each
recreated object will have a unique ID string, no matter when it is created. The
first line of each object’s SPL generates a new ID and assigns it to an SPL
variable specifically set aside for this use (you should not use the variable
ANN_TEMP_ID for anything other than SPL to restore saved annotation
objects).
The generation of unique IDs is essential to the correct behavior of the
annotation objects. Conflicting ID strings can and will cause unexpected results.
Example:
OB00003
SETVAR ANN_TEMP_ID %ANN_GENERATE_ID(%ANN_TARGET_PLANE())
ANNOTATE ARROW CREATE $ANN_TEMP_ID \
ANN!SYBYL!PLANE C -3.261262 -6.262136 \
ANN!SYBYL!PLANE C 3.887888 -6.310680
ANNOTATE ARROW SET STYLE $ANN_TEMP_ID HEAD Filled
ANNOTATE ARROW SET STYLE $ANN_TEMP_ID TAIL Filled
ANNOTATE ARROW SET STYLE $ANN_TEMP_ID BODY Filled
ANNOTATE ARROW SET COLOR $ANN_TEMP_ID HEAD White
ANNOTATE ARROW SET COLOR $ANN_TEMP_ID TAIL White