Wolf's Shareware and Freeware
              Chemical Utilities

C_H_N_O   Infrared Pal    Exact Mass    Buffer   Metastable ions   Protein synthesis  ChemMol   MolWList

All programs listed on this page run under Windows W9*, 2000 and XP.

Vista not tested.
C_H_N_O  Elemental analysis
This freeware program accepts input values for mass % of the elements C (Carbon), H (Hydrogen), N (Nitrogen) and O (Oxygen). If  a value for O is not explicitily given in a compound that contains oxygen it will be calculated by
the formula: O%= 100%-C%-H%-N%.
A list is produced from which the most likely composition of the compound can be readlily determined.

 

IRPal  is a program that may come in quite handy in interpreting IR-spectra of organic compounds. It is shipped with a small database that is suitable for global assignments of functional groups and structure-elements but the database can be modified, extended and tailored to specific needs. The program is self explanatory. Context-sensitive help is available on the statusbar and yellow coloured call-outs.

The database is a TAB-delimited text file that can also be loaded in a number of spreadsheet programs i.e. Excel for sorting or tailoring. Please, save the file again in the TAB-delimited file format

 Infrared Pal     Freeware


One may query the database in several ways:
  • Wavenumber e.g  1720, 720 etc
  • Nature of the bond  - (single), = (double) and # (triple) bonds
  • A bond itself: e.g. =C-H, C-O, C#N
  • Structure element:  e.g. Aromatics, halides, ether, ester, e.t.c.
Mass Spectroscopy
Links
MS Tools
Exact Masses
MS  Wikipedia
EM .EXE  V1.0 (Short from Exact Mass) is a freeware program that accepts an exact mass as determined by Mass Spectroscopy and lists possible compositions of the atoms S, O, N, C and H.     An example for benzamid (EM=121.0526) with an error tolerance of  ±  0.0007 is given in the picture (right). C7H7NO is found along with another element composition that makes no sence. The program is self- explanatory for insiders and context-sensitive help is given on the statusbar.

Buffer Calculation and
Preparation Links
Buffer preparations #1
Buffer preparations #2
pH  Calculations
Wikipedia Buffers
Chemtutor
BUFFER Version 1.0 is a freeware program that accepts a valid pH value and returns one or more methods of preparation of suitable buffers and a number of pH-indicators that change colors close to the pH value entered.

Theoretical buffer pH and real buffer pH are usually two different numbers. For best accuracy, it's recommended to use a pH meter. While monitoring the solution's pH, small amounts of either HCl or NaOH in dilute solution are added until the pH reaches the desired value

4 relevant internet links dealing with the preparation and pH-calculation of buffers are directly accessible from within the program.
Freeware            

.

Metastable.exe V1.0
Metastables Version 1.0 is a freeware program that accepts a
mean mass value of a metastable ion (M*) and an exact value or estimate of the molecular ion (M+) and returns one or more possible combinations of ion-pairs that satify the equation:
M*  =  (M2*M2)/M1
where where M1 and M2 are whole numbers with an error-
tolerance of 0.10 dalton.

Freeware    

mRNA Translation
and
Peptide synthesis.
 Translation is the final step on the way from DNA to protein. It is the synthesis of proteins directed by a mRNA template. The information contained in the nucleotide sequence of the mRNA is read as three letter words (triplets), called codons. Each word stands for one amino acid.
Protein Synthesis

mRNA.EXE is a freeware program that accepts a sequence of codons (mRNA) and translates this sequence into
a protein. Codons are 3-letter words consisting of the bases A (Adenine), C (Cytosine), G (Guanine) and U (Uracil).
Both the mMRA and ptoduced peptide can be copied to the Clipboard be right-clicking the lines in the listbox.
Internet links to relevant topics are displayed on the form.
Freeware    
MolWList (V1.0)
is a freeware program that I once developed in DOS Turbo Pascal for the bulk conversion of lists of compounds into lists that also contained the respective molecular weights.
The program has now been ported to the Windows environment using Borland Delphi. MolWList  accepts an input text file of a list of chemical formulas with each compound on a new line. 
The molecular masses of the compounds listed are calculated (convert button) and the resulting list (fig. left) can be saved to a TAB-delimited text-file suitable for import in other applications like EXCEL or word processors.

Freeware    

CHEMMOL

CHEMMOL (V1.0) is a freeware program for the calculation of molecular masses and chemical analyses of compounds. It was written with the organic chemist in mind.
Thus, apart form (most) of the elements a number of organic functional groups and some protecting groups were added to the database. Likewise, all naturally occuring amino acids were added.
See the Help-screen in the
screendump right.


Output for styrene (Ph-CH=CH2) :
Ph-CH=CH2
(C6H5)C2H3      MW:      104.15                                                        --  resolves phenyl group (C6H5)
Anal:    Ph :  74.03%        C :  23.06%        H :   2.90%       

C8H8      MW:      104.15                                                                    --  Molecular formula  (C8H8)
Anal:    C :  92.26%        H :   7.74%  

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