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Options
13.12
Actions
1.
Convert To Structure By Key From Database
With this action you can import structures and data for a formerly
prepared list of IDs.
In this form you can specify the database, table and column you
would like to import data from:
Connection name: all available database names are listed, the same
as in Import From Database and in Import_From_Database_By_IDs.
Table  name: tables in the  selected  database are listed.
Key column name: the field name in the database for which you
would like to import data for.
Structure column name: this is the name of the structure column.
Molecule Format: Specifies the format of structures to be imported,
by default it is set to Not  specified.
Convert Selection Only: The status of the "Selection only" checkbox
on the Import by ID dialog can be controlled with this option. If this
option is set to True, the "Selection only" check-box will
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Options
automatically checked-in and conversions from ID to structure will be
carried out only for the selected set of IDs. The default is False.
2.
Convert From Structure
This option is about where to put the results of Convert From
Structure action calculations: if the Placement option is set to
Replace, the results will be displayed in the same cell where the
structure is located. If the Placement option is set to Insert  Right,
the results will be displayed in the column on the right side of the
cell containing the structure. 
3.
Convert To Structure
Display  Statistics: The system collects and displays the detailed
summary and exceptions about the conversion if this option is set to 
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Options
On. No conversion report will appear if the option is set to Off. If it is
set  to Warnings, it means that all issues occurred during conversion
will be displayed, but no conversion report (no numeric information
about converted structures). 
Placement: The system replaces the SMILES strings with the
structures at the Convert SMILES string to structure action so the
structures are displayed in the original column of the SMILES strings
if the value of this option is set to REPLACE. The system inserts a
new column for the structures to the right side of the SMILES column
so the structures are displayed in a new column and the original
SMILES strings are kept in the original column if the value of this
option is set to InsertRight.
Resize  To Default: The system resizes the cells to default size
automatically before converting SMILES strings to structure if the
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284
Options
value of this option is set to True. The unsaved modifications cannot
be revoked by Undo function after converting SMILES string to
structure in this case (it is an Excel feature).
13.13
Event Handling
Keyboard Events
Ctrl+C and Ctrl+V runs JChem for Office Copy/Paste:
If this option is set to True, JChem for Excel handles the Ctrl+C - Ctrl
+V keyboard events. This means, that when pressing Ctrl+V the
selected content can be easily pasted with Ctrl+V to other MS Office
applications like PowerPoint and Word. Ctrl+C and Ctrl+ can be easily
used among different MS Office applications.
13.14
Functions
JCStandardizeStructure
Misc - Folder for Rule Set Files: Here can be specified the folder
where the .xml file containing standardization rules applied in the 
JCStandardizeStructure function is located. 
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Options
14
Custom Excel Chemical Functions
Calculator Plugins are modules of ChemAxon's Marvin and JChem
cheminformatics platforms, which calculate physico-chemical
properties from chemical structures. Calculator Plugins currently cover
a range of life science related properties and the development of new
plugins is ongoing. Available directly from Marvin, Instant JChem, and
Reactor applications, command line, API, or via ChemAxon's Chemical
Terms language and are also integrated into JChem for Excel's
"Custom Excel Chemical Functions".
You can find additional information about Calculator Plugins here:
https://docs.chemaxon.com/display/CALCPLUGS/Calculator+Plugins
+User's+Guide
about Chemical Terms here:
https://docs.chemaxon.com/display/chemicalterms/Chemical+Terms
+Home
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286
Custom Excel Chemical Functions
JChem specific functions are collected in separate categories among
basic Microsoft Excel functions and are always named starting with
"JC" to differentiate from other Excel functions. Category names are
starting with JChem prefix for the same reason. 
Since the version JChem for Excel 6.0 has been released, functions
are displayed in different sub-categories based on the field of
computational chemistry they are operating:
·JChem_Charge
·JChem_Chemical Terms
·JChem_Dissimilarity
·JChem_Drug Discovery Filtering
·JChem_Elemental  Analysis
·JChem_Geometry
·JChem_Hydrogen Bond Donor-Acceptor
·JChem_Image
·JChem_Isomers
·JChem_Markush Enumeration
·JChem_Naming
·JChem_Protonation  and Partitioning
·JChem_Structure
·JChem_Tautomers
·JChem_Topology Analysis
In earlier versions JChem4Excel functions were not categorized but
were listed in JChemExcel.Functions group, which is still available
with all former JChem functions in the original MS Excel list to keep
the software's back-ward compatibility.
A short description, which is an abstract of JChem for Excel's online
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287
Custom Excel Chemical Functions
help is added to each JChem function:
Clicking on Help on this function, JChem for Excel's online help opens
the page, which is appropriate for the selected function:
288
Custom Excel Chemical Functions
See more in Using JChem Excel Functions topic.
14.1
Using JChem Excel Functions
Most of JChem for Excel functions require a structure as an input. The
functions can be reached by opening the function wizard and also by
entering the name of the function and related parameters to the
cells.
Function wizard
1.
Select a cell and click on the Insert  Function ribbon button.
289
Custom Excel Chemical Functions
2.
JChem specific functions are collected in separate categories
among basic Microsoft Excel functions and are always named
starting with "JC" to  differentiate from other basic Excel functions
(see also in Custom Excel Chemical Functions topic). Category
names are starting with JChem prefix:
3.
Select a category (e.g. JChem_Elemental Analysis) from the combo
list and select a function (e.g. JCExactMass). Click on the OK
button.
290
Custom Excel Chemical Functions
4.
The Function Arguments form is opened. Select data for arguments:
Please, note that there is a short description for each function
argument, but JChem for Excel's online help is also available here.
5.
Close  the Function Arguments form by OK button. The calculated
data (exact mass of the specified structure) are displayed in the
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