<Decimal_Separator value="[VALUE]"/>

Sets the decimal separator to be used.

<Missing_String value="[VALUE]"/>

Sets the string (can be both a number, like “-999”, or a alphanumeric value, like “n.a.”) to be used.

<RejectUnusualValence value="[true/false]"/>

Sets if molecules with unusual valences should be rejected or not.

<Add2DHydrogens value="[true/false]"/>

Sets if hydrogen should be added or not.

<LogPathWalk value="[true/false]"/>

Sets if Path and Walk descriptors should be given in log form or not.

<LogEdge value="[true/false]"/>

Sets if Edge Adjacency descriptors should be given in log form or not.

<Weights>

 <weight name="[Mass/VdWVolume/

                          Electronegativity/Polarizability/

                          Ionization/I-State]"/>

 …

</Weights>

Sets the weights to be used. The <weight> tag can be added several times, each time with a different weight.

<SaveOnlyData value="[true/false]"/>

Sets if saved text file should contain only raw data (no headers).

<SaveLabelsOnSeparateFile value="[true/false]"/>

Sets if data label (headers) should be saved in a separate text file.

<SaveFormatBlock value="[VALUE]"/>

Sets the string for creating names of file when saving by blocks.

<SaveFormatSubBlock value="[VALUE]"/>

Sets the string for creating names of file when saving by sub-blocks.

<SaveExcludeMisVal value="[true/false]"/>

Sets if descriptors with at least one missing value should be excluded when saving results.

<SaveExcludeAllMisVal value="[true/false]"/>

Sets if descriptors with all missing value should be excluded when saving results.

<SaveExcludeConst value="[true/false]"/>

Sets if descriptors with constant value should be excluded when saving results.

<SaveExcludeNearConst value="[true/false]"/>

Sets if descriptors with near constant value should be excluded when saving results.

<SaveExcludeStdDev value="[true/false]"/>

Sets if descriptors with standard deviation values lower than the given threshold should be excluded when saving results.

<SaveStdDevThreshold value="0.0001"/>

Sets the standard deviation threshold.

<SaveExcludeCorrelated value="[true/false]"/>

Sets if descriptors with a pair correlation value higher than the given threshold should be excluded when saving results.

<SaveCorrThreshold value="0.98"/>

Sets the correlation threshold.

<SaveExclusionOptionsToVariables value="="[true/false]"/>

Sets if the above mentioned options for exclusions should be applied also to imported variables.

<SaveExcludeMisMolecules value="[true/false]"/>

Sets if molecules with at least one missing value should be excluded when saving results.

<SaveExcludeRejectedMolecules value="[true/false]"/>

Sets if rejected molecules should be excluded when saving results.

<block id="[VALUE]" [SelectAll="true"]>

 <descriptor name="[NAME]">

 …

</block>

Selects a descriptor block and the descriptors to be used. The <descriptor> tag can be added several times, the value of the parameter name should be a valid descriptor name from the given block. If  the parameter SelectAll="true" is given, it is not necessary to add <descriptor> tags, and all the descriptors of the given block will be used.

<molInput value="[file/stdin]"/>

Sets if the input molecules should be read from one or more files (file option) or from the Standard Input stream (stdin option)

<molFile value="[FILE]"/>

Selects a file with molecules to be used as input. This tag can be added several times. Note that this tag should be used only when the <molInput> tag is set with the parameter "file".

<molInputFormat value="[SYBYL/MDL/

                                     HYPERCHEM/SMILES

                                     MACROMODEL]"/>

Selects the molecule format to be used while reading from Standard Input stream. Note that this tag should be used only when the <molInput> tag is set with the parameter "stdin".

<SaveStdOut value="[true/false]"/>

Sets if results should be sent to Standard Output stream.

<SaveProject value="[true/false]"/>

Sets if results should be saved as a Dragon project (.drp).

<SaveProjectFile value="[FILE]"/>

Specifies the file name for saving results as a Dragon project (.drp), if this option is set.

<SaveFile value="[true/false]"/>

Sets if results should be saved as plain text file(s).

<SaveType value="[singlefile/block/subblock]"/>

Specifies how to save results as a plain text file(s), if this option is set. Available options are "singlefile" (all results saved in a single file), "block" (results divided in several files, one per descriptors block), "subblock" (results divided in several files, one per descriptors sub-block).

<SaveFilePath value="[FILE]"/>

Specifies the file name for saving results as a plan text file(s), if the "singlefile" option is set; if "block" or "subblock" are set, specifies the path in which results files will be saved.

<logMode value="[none/stderr/file]"/>

Specifies how the log should be produced. Available options are "none" (no log is produced), "stderr" (log is sent to Standard Error stream) or "file" (log is saved to a plain text file)

<logFile value="[FILE]"/>

Specifies the file name for saving the log, if the option is set.

<fileName value="[VALUE]"/>

Specifies the plain text file to be imported for external variables.

<delimiter value="[VALUE]"/>

Sets the delimiter character.

<consecutiveDelimiter value="[true/false]"/>

Sets if consecutive delimiter should be reduced to a single one or not.

<MissingValue value="[VALUE]"/>

Specifies the value to be interpreted as missing value.