HASL Predict Dialog Box
- Molecule Source
- radios: {From Molecular Area|From Selected Rows in MSS}
- Select where the Predicted molecule can be found. It is either a single molecule
in a Sybyl molecular area or rows in the open molecular spreadsheet that already
have been selected.
- Molecule/Atoms...
- push button
- If your Molecule Source is "From Molecular Area" choose the
Molecule (and atoms) that you wish to predict with
the current HASL model. Pressing this button calls the standard SYBYL atom
selection dialog.
- Save Molecular Lattice
- check box
- If this box is "on" the HASL Molecular Lattice
for the predicted molecule will be saved to a disk file specified by File
Name.
- File Name
- field
- Enter the File Name for the Molecular Lattice File.
- HASL Model File
- field and push button
- Identify the HASL model (.hsl) file that you are using for this run.
The .hsl file maintains records of the associated parameters and filenames
for the model. If you are proceeding in sequence from the creation of the
molecular HASL lattices through model creation and molecule prediction,
this parameter will be filled by default with the name first chosen. Otherwise
you will have to enter it by name.
- Save HASL predictions in MSS
- check box
- When this box is checked "on" the resulting HASL predictions will be
saved in a new column in the open Molecular Spreadsheet. This option is only
active if the Molcule Source is "From Selected Rows in the MSS".
- Examine HASL Model Setup...
- push button
- If you wish to review the parameters used to create the set of molecular
HASL lattices, press this button. The resulting dialog, Examine
HASL Model Setup, lists the choices made in the Main HASL dialog.