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qmol

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You can enter a formula, (e.g. CH3(CH2)2OH) and get its molecular weight (60.0959 g/mol) and its elemental composition (C3H8O: C 59.96; H 13.42; O 26.62 %).

qmol comes with sets of predefined groups (alkyls/aryls, amino acids). Furthermore, you can define your own custom group symbols, provided they do not interfere with an element's name.

It has a protein mode for calculating the molecular weights of proteins (i.e. automatic H2O subtraction).
You can calculate the mass of large proteins like the one on this page: Proline-rich protein 12 (1215 amino acids, 129992 g/mol). Protein mode with interpretation of one-letter amino acids is triggered by enclosing the formula in square brackets. E.g. you can calculate the MW of aspartame with [DF]Me-H (aspartame is the methyl ester of N-(L-+--Aspartyl)-L-phenylalanine, i.e. Me added, one H subtracted).

Maybe you will also find the history function useful.

qmol is a major rewrite of Tomislav Gountchev's KMol. I really enjoyed using KMol for daily laboratory use in synthetic inorganic chemistry. My original intention was to port KMol, which was based on kde3 libraries, to kde4 to get rid of the old kde3 dependencies. But at the time I tried that, I did not understand enough of C++/Qt to be able to do it. So I decided I'd analyze the code by coding the application more or less from scratch without the kde dependencies (i.e. pure Qt) using qtcreator.

Free download from Shareware Connection - qmol is a simple molecular weight calculator.

Publisher: Thomas Mitterfellner | License: Shareware
Version: 0.4.1 | Size: 2836 KB | Platform: Windows 7, Windows 8, WinOther, WinVista
Released Date: | Rating: 0 | Title: qmol

Author Url: http://sourceforge.net/users/suppersready
Program Info Url: http://sourceforge.net/users/suppersready
Download Url: http://jaist.dl.sourceforge.net/project/qmol/qmol-0.4.1/qmol-0.4.1-w32.zip

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Shareware Connection periodically updates pricing and software information of 'qmol' from company source 'Thomas Mitterfellner' , so some information may be slightly out-of-date. You should confirm all information before relying on it. Software piracy is theft,  Using 'qmol' crack, password, serial numbers, registration codes, key generators is illegal and prevent future development of qmol.

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