MacFormat España 14/MacFormat n. 14 (Spain)/MacFormat 14.bin/Shareware Internet/Educación/MoleCalc™/MoleCalc™.rsrc/TEXT_4000.txt

Text File | 1996-02-17 | 10.3 KB | 248 lines

MoleCalc‚Ñ¢ is a trademark of The Digital Chemistry Company
and is exclusively licensed by The Digital Chemistry Company.

Features

• Enter and display formulas using standard chemical
notation with the ease of the Macintosh graphical user interface.
• Select constituent elements of compounds quickly using the
standard “periodic table” layout without keyboard input.
• Calculate weight of compounds containing any of the known
109 elements
• Calculate weight of compounds containing commonly used
stable isotopes
• Calculated weight can be displayed to the correct significant
figures depending upon the selected constitutent elements
• Calculate weights and errors based on the 1989 Report of the
Commission on Atomic Weights and  Isotopic Abundances of the
IUPAC
• Displays Hill formula for entered compound
• Displays weight percent or weight fraction of each constituent
 element of the entered compound
• Supports Cut&Paste for transfer of results to other
applications such as spreadsheet/wordprocessor.

Registration

The demonstration copy of MoleCalc‚Ñ¢ has the following features
disabled;
• Cut&Paste for transfer of results to other applications such
as spreadsheet/wordprocessor.
• Use of elements with atomic number greater than 9 with
entered compounds.

To obtain a full operational copy of MoleCalc‚Ñ¢ print the post
card by clicking the Post Card button, and fill in the address
and payment details (US$15 via credit card, or US$20 by bank
draft, or equivalent in your local currency). Fax or mail the
post card to the following address;
           The Digital Chemistry Company
        PO Box 332M
        Manunda, Cairns 4870, Queensland
        AUSTRALIA.
        fax: [phone]
        email: [e-mail]
Upon receipt of the post card a registration number will be
posted/faxed to you. Entering this registration number into the
REGO field at the bottom of the “About MoleCalc™...”  window
will enable all features within this demo copy of MoleCalc‚Ñ¢.

Distribution Policy

The demonstration copy of MoleCalc‚Ñ¢ is provided free of charge
to all Macintosh users.  It may be distributed freely, provided
that both the software and this documentation are always
distributed together, in whole and unchanged.  The demonstration
copy of MoleCalc‚Ñ¢ may not be sold or offered for sale, or
included with another software product offered for sale,
except with the express written permission of the Digital
Chemistry Company.  Companies that distribute public domain/
freeware/shareware software for profit are expressly
prohibited from distributing MoleCalc‚Ñ¢ except with the
express written permission of the Digital Chemistry Company.

On-line Help

Entering formula's

• Formula’s are assembled using the same notation and logic as
when using pencil and paper, except that the mouse is used to
select desired elements by clicking.

• Simply point and click the mouse on the desired element(s).
Each successive click on a particular element increments the
count for that occurance of the element in the formula. For
example, to enter the formula CÉHÖ; click the "key" for carbon
twice, followed by four clicks on the key for hydrogen.

• Alternatively, the numeric subscript of an element in the
formula can be added by clicking on the “numeric keypad”
after clicking the desired element. For example, to enter carbon
in the formula CÉÅHÖÉ; click the "key" for carbon, followed by
clicking the "2" and "0" keys.

• Parentheses in formula’s are fully supported with upto ten
levels of nesting. For example, to enter the formula (CHÑ)ÉCHÉ;
click the "(" key followed by the entry for CHÑ (see above), and
then the ")" key followed by "2" and then the remaining entry
for CHÉ (see above).

Number of Decimal Places in the Calculated Weight

The radio buttons in the “Decimal Places in Weight” section of
the Preferences Dialog box control the number of decimal places
displayed in the calculated weight of the entered formula. The
Preferences Dialog box is displayed by choosing the Prefs item
from the File menu.

If the “To Significant Figures in Atomic Data” radio button is
selected, the displayed calculated weight of the entered formula
will show the correct significant figures depending upon the
uncertainty in the atomic weights of the selected constitutent
elements.

Displaying Calculated Weight Error

The total weight error in entered formula due to uncertainces in
the atomic weights of the selected elements will be displayed if
the “Show ± Error with Molecular Weight” check box is clicked
in the Preferences Dialog box. The Preferences Dialog box is
displayed by choosing the Prefs item from the File menu.

Displaying the Hill formula

Clicking on the formula toggles the display between the Hill
formula (carbon then hydrogen followed by the other elements
of the compound in alpabetical order) and the entered formula
as input by the user.

Showing Weight Percent/Fraction

Successively clicking   displays the weight percent or weight
fraction of each element within the entered formula.

The radio buttons in the “Display Fragment Weights” section of
the Preferences Dialog box control whether the weight percent
or weight fraction is displayed. The Preferences Dialog box is
displayed by choosing the Prefs item from the File menu.

Water of Hydration

Water of hydration can be added to a formula by clicking  the
".HÉO" key, with each successive click incrementing the count.
Water of hydration can only be added to the end of a formula. No
further additions can be made to the formula once water(s) of
hydration have been added.

Element Keypad

• Used to select the constituents of entered formulas.

• The layout follows the standard “periodic table of the
elements” style.

• Each successive click on a particular element increments the
count for that occurance of the element in the formula.

Numeric Keypad

"%" key - successive clicks cycle through the weight percent or
weight fraction of each element within the entered formula.
".HÉO" key - successive clicks increment the count for the
number of water(s) of hydration for the entered formula.
 "CE" key - clears the entered formula and displayed weight.
"(" and ")" key - parentheses used to group portions of a entered
 formula.
"0" to "9" keys - to allow alternate entry of large atom count
subscripts.

Isotope Keypad

Used in the same fashion as the  “element keypad” keys to
incorporate commonly used stable isotopes into entered formulas.

Preferences Settings

• The Preferences Dialog box is displayed by choosing the Prefs
item from the File menu.

• “Click in Window Close Box” section has radio buttons which
toggle the function of the standard close box in the upper left
hand corner of the main window. A click in the close box either
quits the application or only closes the main window. If the main
window is only closed, it can be redisplayed using the “Show”
item in the File menu.

• “Decimal Places in Weight” section has radio buttons which
control the number of significant figures in the displayed
calculated weight of the entered formula.

• “Show Error in Weight” check box controls if the error in the
calculated weight of the entered formula due to uncertainty in the
atomic weights of the constituent elements is displayed.

• “Display Fragment Weights” section has radio buttons which
toggle if the weight percent or weight fraction is displayed for
constituent elements when using the “percent” key on the
“numeric keypad” section.

• “Cut & Paste Orientation” section has radio buttons which
toggle the “direction” in which the calculated weight and weight
error are pasted into applications such as spreadsheets and
wordprocessors.

Legal Considerations

MoleCalc™ copyright © 1993-94  The Digital Chemistry
Company. All rights reserved.

MoleCalc‚Ñ¢ is a trademark of The Digital Chemistry Company
and is exclusively licensed by The Digital Chemistry Company.

THE DIGITAL CHEMISTRY COMPANY MAKES NO WARRANTIES,
EXPRESS OR IMPLIED, INCLUDING WITHOUT LIMITATION THE
IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
A PARTICULAR PURPOSE, REGARDING THE SOFTWARE. THE
DIGITAL CHEMISTRY COMPANY DOES NOT WARRANT,
GUARANTEE OR MAKE ANY REPRESENTATIONS REGARDING THE
USE OR THE RESULTS OF THE USE OF THE SOFTWARE IN TERMS
OF ITS CORRECTNESS, ACCURACY, RELIABILITY, CURRENTNESS
OR OTHERWISE. THE ENTIRE RISK AS TO THE RESULTS AND
PERFORMANCE OF THE SOFTWARE IS ASSUMED BY YOU. THE
EXCLUSION OF IMPLIED WARRANTIES IS NOT PERMITTED BY
SOME STATES. THE ABOVE EXCLUSION MAY NOT APPLY TO YOU.

IN NO EVENT WILL THE DIGITAL CHEMISTRY COMPANY AND OR
THE DIRECTORS, OFFICERS, EMPLOYEES OR AGENTS BE LIABLE
TO YOU FOR ANY CONSEQUENTIAL, INCIDENTAL OR INDIRECT
DAMAGES (INCLUDING DAMAGES FOR THE LOSS OF BUSINESS
INFORMATION, AND THE LIKE) ARISING OUT OF THE USE OR
INABILITY TO USE THE SOFTWARE EVEN IF THE DIGITAL
CHEMISTRY COMPANY HAS BEEN ADVISED OF THE POSSIBILITY
OF SUCH DAMAGES. BECAUSE SOME STATES DO NOT ALLOW THE
EXCLUSION OR LIMITATION OF LIABILITY FOR CONSEQUENTIAL
OR INCIDENTAL DAMAGES, THE ABOVE LIMITATIONS MAY NOT
APPLY TO YOU. The Digital Chemistry Company liability to you
for actual damages from any course whatsoever, and regardless
of the form of the action (whether in contract, tort (including
negligence), product liability or otherwise) will be limited to
the price paid for the software MoleCalc‚Ñ¢ .

THE DIGITAL CHEMISTRY COMPANY LICENSE
AGREEMENT

This is a legal contract between you, the end user, and The
Digital Chemistry Company. The accompanying software program
MoleCalc‚Ñ¢ is licensed by The Digital Chemistry Company and
agreement with the copyright holder to you as: granting you the
right to use one copy of the software on a single computer or
terminal. If you install this software on a network, you must
purchase a separate copy of the software for each terminal in use
on the network. The software MoleCalc‚Ñ¢is owned and copyrighted
by The Digital Chemistry Company and is protected by United
States copyright laws and international  treaty provisions. The
Digital Chemistry Company is the sole and exclusive licensee for
manufacture and distribution, such license having been granted
by the copyright holder. You may not rent or lease this software.
You may not reverse engineer, decompile, disassemble or create
derivative works from this software.