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InfoPeriodicTableElements.pl - List atomic properties of elements
InfoPeriodicTableElements.pl ElementID(s)...
InfoPeriodicTableElements.pl [-h, --help] [-m, --mode ElementID | AmericanGroupLabel | EuropeanGroupLabel | GroupNumber | GroupName | PeriodNumber | All] [--outdelim comma | tab | semicolon] [--output STDOUT | File] [--outputstyle ElementBlock | ElementRows] [-o, --overwrite] [--precision number] [--propertiesmode Categories | Names | All] [-p, --properties CategoryName,[CategoryName,...] | PropertyName,[PropertyName,...]] [--propertieslinting ByGroup | Alphabetical] [-q, --quote yes | no] [-r, --root rootname] [-w, --workingdir dirname] ElementID(s)...
List atomic properties of elements in the periodic table. A variety of methods are available to specify elements of interest: atomic numbers, element symbols, American or European style group labels, IUPAC group numbers, period numbers, and group names.
Atomic properties data, in addition to basic information about the periodic table elements, is also available for these categories: atomic radii, bulk properties, common valences, electronegativities, electron affinities, historical data, ionization energies, natural isotopes, oxidation states, and thermal properties.
Natural isotopes data include mass number, relative atomic mass and percent natural abundance for each isotope of an element.
Command line specification of elements is mode specific. In general, it's a space delimited list of values to identify elements. All element IDs must correspond to a specific mode; mixed specifications is not supported.
For ElementID mode, input value format is: AtomicNumber [ElementSymbol ...]. Default: H. Examples:
For AmericanGroupLabel mode, input value format is: GroupLabel [GroupLabel ...]. Default: IA. Possible group label values are: IA IIA IIIB IVB VB VIB VIIB VIII or VIIIB IB IIB IIIA IVA VA, VIA, VIIA, VIIA. Examples:
For EuropeanGroupLabel mode, input value format is: GroupLabel [GroupLabel ...]. Default: IA. Possible group label values are: IA IIA IIIA IVA VA VIA VIIA VIII or VIIIA IB IIB IIIB IVB VB, VIB VIIB VIIB. Examples:
For IUPAC GroupNumber mode, input value format is: GroupNumber [GroupNumber...]. Default: 1. Possible group label values are: 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18. Examples:
For GroupName mode, input value format is: GroupName [GroupName...]. Default: AlkaliMetals. Possible group name values are: AlkaliMetals AlkalineEarthMetals Chalcogens CoinageMetals Halogens NobleGases Pnictogens Lanthanides or Lanthanoids, Actinides or Actinoids. Examples:
For PeriodNumber mode, input value format is: PeriodNumber [PeriodNumber,...]. Default: 1. Possible group label values are: 1 2 3 4 5 6 7. Examples:
For All mode, no input value is needed and atomic properties information is listed for all the elements.
Print this help message.
Specify elements for listing atomic properties using one of these methods: atomic numbers and/or element symbols list, American style group labels, European style group labels, IUPAC group number, group names, period numbers, or all elements.
Possible values: ElementID, AmericanGroupLabel, EuropeanGroupLabel, GroupNumber, GroupName, PeriodNumber, All. Default: ElementID.
Output text file delimiter. Possible values: comma, tab, or semicolon Default value: comma.
List information at STDOUT or write it to a file. Possible values: STDOUT or File. Default: STDOUT. -r, --root option is used to generate output file name.
Specify how to list element information: add a new line for each property and present it as a block for each element; or include all properties in one line and show it as a single line.
Possible values: ElementBlock | ElementRows. Default: ElementBlock
An example for ElementBlock output style:
An example for ElementRows output style:
Overwrite existing files.
Precision for listing numerical values. Default: up to 4 decimal places. Valid values: positive integers.
Specify how property names are specified: use category names; explicit list of property names; or use all available properties. Possible values: Categories, Names, or All. Default: Categories.
This option is used in conjunction with -p, --properties option to specify properties of interest.
This option is --propertiesmode specific. In general, it's a list of comma separated category or property names.
Specify which atomic properties information to list for the elements specified using command line parameters: list basic and/or isotope information; list all available information; or specify a comma separated list of atomic property names.
Possible values: Basic| BasicAndNaturalIsotope | NaturalIsotope | PropertyName,[PropertyName,...]. Default: Basic.
Basic includes: AtomicNumber, ElementSymbol, ElementName, AtomicWeight, GroundStateConfiguration, GroupNumber, PeriodNumber, FirstIonizationEnergy.
NaturalIsotope includes: AtomicNumber, ElementSymbol, ElementName, MassNumber, RelativeAtomicMass, NaturalAbundance.
Here is a complete list of available properties: AllenElectronegativity, AllredRochowElectronegativity, AtomicNumber, AtomicRadiusCalculated, AtomicRadiusEmpirical, AtomicWeight, Block, BoilingPoint, BondLength, BrinellHardness, BulkModulus, Classification, CoefficientOfLinearExpansion, Color, CommonValences, LowestCommonValence, HighestCommonValence, CommonOxidationNumbers, LowestCommonOxidationNumber, HighestCommonOxidationNumber, CovalentRadiusEmpirical, CriticalTemperature, DensityOfSolid, DiscoveredAt, DiscoveredBy, DiscoveredWhen, ElectricalResistivity, ElectronAffinity, ElementName, ElementSymbol, EnthalpyOfAtmization, EnthalpyOfFusion, EnthalpyOfVaporization, FirstIonizationEnergy, GroundStateConfiguration, GroundStateLevel, GroupName, GroupNumber, NaturalIsotopeData, MeltingPoint, MineralHardness, MolarVolume, MullikenJaffeElectronegativity, OriginOfName, PaulingElectronegativity, PeriodNumber, PoissonsRatio, Reflectivity, RefractiveIndex, RigidityModulus, SandersonElectronegativity, StandardState, SuperconductionTemperature, ThermalConductivity, VanderWaalsRadius, VelocityOfSound, VickersHardness, YoungsModulus.
Specify how to list properties for elements: group by category or an alphabetical by property names. Possible values: ByGroup or Alphabetical. Default: ByGroup. During Alphabetical listing, element identification data - AtomicNumber, ElementSymbol, ElementName - is show first, and natural isotope data - MassNumber, RelativeAtomicMass, NaturalAbundance - is listed in the end.
Put quotes around column values in output text file. Possible values: yes or no. Default value: yes.
New text file name is generated using the root: <Root>.<Ext>. File name is only used during File value of -o, --output option.
Default file name: PeriodicTableElementsInfo<mode>.<Ext>. The csv, and tsv <Ext> values are used for comma/semicolon, and tab delimited text files respectively.
Location of working directory. Default: current directory.
To list basic atomic properties information for element H, type:
To list basic atomic properties information for elements C,N,O and F, type:
To list all available atomic properties information for elements C,N,O and F, type:
To list basic and natural isotope information for elements C,N,O and F, type:
To list AtomicNumber, ElementName, AtomicWeight and CommonValences information for elements C,N,O and F, type:
To alphabetically list basic and natural isotope information for elements C,N,O and F in rows instead of element blocks with quotes around the values, type:
To alphabetically list all available atomic information for elements C,N,O and F in rows instead of element blocks with quotes around the values and write them into a file ElementProperties.csv, type:
To list basic atomic properties information for elements in groups IA and VIA using American style group labels, type:
To list basic atomic properties information for elements in groups IA and VB using European style group labels, type:
To list basic atomic properties information for elements in groups Halogens and NobleGases, type:
InfoAminoAcids.plInfoNucleicAcids.pl
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