TerraTox Databases User Manual, vs. 3.1

TerraTox Databases User Manual, vs. 3.1
TerraTox™ Databases
User Manual, vs. 3.1
Copyright © 2006, TerraBase Inc.
Software Purpose
TerraTox™ is a specialized database software, designed and optimized solely
for the quick retrieval of available toxicological and physico-chemical data for
chemical substances. TerraTox database modules contain between 1,000 and 100,000
individual chemical substances each. The available information for each substance
varies, but up to ~250 different types of data are available for the more common
compounds. References are shown for the more significant properties. Chemical
structures are shown in 2D or 3D (user determined).
The TerraTox software has the most powerful search routines available in the
industry, allowing simultaneous search by chemical structure, name, formula, CAS,
and any two of the up to ~250 types of effects listed in the specialized TerraTox
databases. This search ability results in unparalleled speed, convenience, and success
in finding the information sought.
TerraTox™ Database Modules
At this time, the following TerraTox modules are available. For details on the
databases below, please see the TerraBase web site, or use the hyperlinks below.
TerraTox™ - Drugs
TerraTox™ - Explorer
TerraTox™ - HIV-1
TerraTox™ - Pesticides
TerraTox™ - Tetrahymena
TerraTox™ - Skin
TerraTox™ - Steroids-RBA
TerraTox™ - Vibrio fischeri
New and expanded modules will come on stream from time to time. Please check our
web site or send an email message with a request to be informed on specific
developments.
TerraQSAR™ Computation Modules
Our valued customers are also advised on the concurrent development of our
TerraQSAR™ computation programs. For details, please see the TerraBase web site.
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Table of Contents
Software Purpose .......................................................................................................... 1
TerraTox™ Database Modules ...................................................................................... 1
TerraQSAR™ Computation Modules............................................................................ 1
Table of Contents.......................................................................................................... 2
List of Figures ............................................................................................................... 2
List of Tables ................................................................................................................ 2
Introduction................................................................................................................... 3
Opening Window .......................................................................................................... 3
Module Select ............................................................................................................... 4
Searching....................................................................................................................... 4
Name Search ............................................................................................................... 5
Formula Search ........................................................................................................... 7
CAS Search................................................................................................................. 8
Structure Search .......................................................................................................... 9
Property Search......................................................................................................... 11
Simultaneous Search of Two or More Fields ........................................................... 13
3D Viewer................................................................................................................... 13
Note regarding 3D structures .................................................................................... 15
SMILES Notation ....................................................................................................... 16
Literature..................................................................................................................... 16
Acknowledgement ...................................................................................................... 17
Security Features......................................................................................................... 17
Legal ........................................................................................................................... 18
License Agreement ................................................................................................... 18
Trademarks and Copyrights...................................................................................... 22
Technical Requirements.............................................................................................. 22
Installation Instructions............................................................................................... 23
Customer Support ....................................................................................................... 23
List of Figures
Figure 1. TerraTox opening window.................................................................................. 3
Figure 2. Module Selection box. ........................................................................................ 4
Figure 3. Search window overview. .................................................................................. 5
Figure 4. Standard Name search........................................................................................ 6
Figure 5. Advanced Name search...................................................................................... 7
Figure 6. Formula Search window. ................................................................................... 8
Figure 7. CAS Search window. ......................................................................................... 9
Figure 8. Chemical structure search window. ................................................................. 10
Figure 9. Chemical structure search window with SMILES string. ................................ 11
Figure 10. Property search window................................................................................. 12
Figure 11. Property search result..................................................................................... 12
Figure 12. Search status window..................................................................................... 13
Figure 13. Detailed compound information and 2D structure......................................... 14
Figure 14. Detailed compound information and 3D structure (a). .................................. 14
Figure 15. Detailed compound information and 3D structure (b). .................................. 14
Figure 16. 3D Viewer display. ........................................................................................ 15
List of Tables
Table 1. Valid and invalid examples of Accelrys’ SMILES code....................... 16
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Introduction
Welcome to the TerraTox™ databases, a series of unique database software
modules, which can simultaneously be searched by name, chemical formula, CAS number,
chemical structure, or fragments thereof, and up to two concurrent field values (numerical
or text). TerraTox™ databases have been developed by TerraBase Inc.
TerraTox database products are designed for easy use and provide the most important
information for chemicals from the relevant scientific literature. They are maintained and
updated regularly by reference to the most recent publications.
TerraTox database products are valuable research tools in the fields of health,
environment, pharmaceuticals, and general chemistry.
Opening Window
The TerraTox module will display the initial TerraBase Inc. logo and its address,
the user name and affiliation, the copyright and related information. This screen is
normally visible for a few seconds only upon accessing the software, but can also be
accessed anytime from the Help/About menu item, as shown on Fig. 1. Location of
Module Select, Search, and View functions are shown, as well as the Help/About
command location.
Help/About
Module Select
Search
View
Figure 1. TerraTox opening window.
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Module Select
For users subscribing to two or more databases, upon clicking on the Module Select
icon, a list of available choices will appear, as shown in Fig. 2, the list of modules available
depends on the user’s subscription choices. The main field shows currently available
modules.
TerraTox Module
Selection box
Figure 2. Module Selection box.
Searching
The TerraTox programs have a variety of search functions built-in. They
include (main functions only): Name search, chemical Formula search, CAS
number search, chemical Structure search, and Property search. The opening screen
of the Search window is shown in Fig. 3, showing the main four search capabilities
of TerraTox databases.
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Formula
Structure
Property
Name
CAS
Figure 3. Search window overview.
Name Search
Standard Search
The Name search (standard) allows the user to enter up to seven words or word
fragments to search the database of choice for all occurrences which contain all of the
given word fragments in the chemicals’ name. For example, a search for “phen amin chlor”
of the TerraTox – Explorer database results in the listing of compounds as shown in Fig. 4.
Please note that the Name search is not case-sensitive.
Tip: The order of text fragments in the search field does not affect the search results.
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Advanced text
search option
phen amin chlor
Search results box
Figure 4. Standard Name search.
Advanced Search
The Name search function has an option for an advanced search, as also
shown in Fig. 4. Clicking on the Advanced Text Search option will open the
Advanced Text Search window, as shown in Fig. 5. The Advanced Text Search
enables to search simultaneously for compounds WITH ALL of the text fragments,
WITH AT LEAST ONE of the fragments, and WITHOUT certain fragments. For
example, as shown in Fig. 5, a search for compounds WITH the word fragments
“phen amin chlor” and WITHOUT the fragment “nitro” in the name results in the
list of compounds shown in the results window. Only the first 13 of 135 compounds
in the TerraTox – Explorer database resulting from above search are visible in the
field. The rest becomes visible upon scrolling down the right hand scroll bar.
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phen amin chlor
nitro
Add search results option
Figure 5. Advanced Name search.
A further Name search option is available, i.e. to search for several terms, such as “phen
amin chlor”, but rather than requiring all terms to be in each compound, to have AT
LEAST ONE of the search terms in the name. For this option, just place the search term in
the middle box of the three Advanced Text Search fields. Search terms can be changed,
terms can be added or deleted at will and a new search can be performed with combinations
of any of these search conditions. In addition, the results of one search can be saved and the
results of the next search can be appended to the list by activating the “Add search results”
option, also shown in Fig. 5.
Tip: The order of text fragments in the WITH, AT LEAST ONE, or WITHOUT fields does
not affect the search results.
Formula Search
Searching by chemical formula is simple and straightforward. As shown in Fig. 6,
formula search can be performed for either a formula fragment (sub formula search option)
or for an exact chemical formula (exact formula option). Please note that the Formula
Search is case sensitive. For example, searching for “r” will result in a list of all
compounds with Br, Cr, Sr, Zr, etc. in the chemical formula. In contrast, search for the
letter “R” will result in compounds containing Rb, Rh, Ru, etc. When searching for several
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atoms simultaneously, such “Br” and Cl” in the same compound, Hill’s rule must be
followed and the number of atoms must be specified (except for “1”). For example,
searching for compounds with one bromine atom and two chlorine atoms in the molecule
must be entered as “BrCl2”.
Sub formula search
Exact formula search
Figure 6. Formula Search window.
Tip: When searching for compounds with several specific types of atoms present, such as
bromine, chlorine, iodine, the best method would be to place one of these terms in the
Formula search box (e.g. “Br”) and the other ones into the text search box, e.g.
“chlor iod” and perform simultaneously both Text and Formula fields.
CAS Search
Chemical Abstracts Service (CAS) numbers for chemicals have the formats shown
in the CAS Search window (Fig. 7). It allows to search for compounds with known, or
partially known CAS numbers. First, select the appropriate mask (21-11-1, 311-11-1, etc.),
and then fill in the available information, or use question marks for missing information.
For example, a search for “111-??-?” would find all compounds in the database with CAS
numbers starting with “111-“. The maximum number of question marks for unknown
digits is nine, i.e. “??????-??-?”. It will find all compounds with CAS numbers 100000-00-?
and higher in the specified database.
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CAS mask selection
Figure 7. CAS Search window.
Structure Search
TerraTox modules use as chemical structure input a chemical’s SMILES code (2D
or 3D), which is an international code for the representation of chemical structures and
amenable to computer analysis. Numerous chemical structure editors are available freely
on the internet and can be used to create or transfer molecular structures into SMILES code,
including the built-in 3D-Viewer.
The search window for chemical structure fragments is shown in Fig. 8. The chemical
structure search window has four search options, namely FRAGMENT (present), EXACT
STRUCTURE, FRAGMENT (absent), and SIMILARITY (Tanimoto similarity function,
selectable from 0% to 100% similarity). In contrast to the text search, only one of these
four structure search types can be executed at any time; however, the chemical structure
search can be combined with an un-restricted number of the other search functions,
including advanced text, formula and CAS searches, which results in extremely powerful
and fast searches of the TerraTox databases.
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Fragment present
Exact
t t
Fragment NOT present
Similarity
SMILES string field
Figure 8. Chemical structure search window.
Whenever a valid SMILES string is entered into the SMILES string field, a chemical graph
will automatically appear in the window to the right. This is shown on the example of
n-butylbenzene, with the SMILES string “c1ccccc1CCCC” in Fig. 9. For using the 3D
display, please refer to the “3D Viewer” section, further down.
While only one of the structure search types can be executed at a time, the Accelrys
software allows simultaneous search for different atoms in any position, when placed into
square brackets. For example, a search for Nc1c([Br,Cl])cccc1 will find all aniline
derivatives with either ortho-bromine or ortho-chlorine substituents. There is no limit as to
the number of different atoms in the square brackets. For example, a search for
Nc1c([Br,Cl,I,F,N,O,S,Se])cc(O)cc1 will find all 4-hydroxy-aniline derivatives with a
chlorine, bromine, iodine, fluorine, nitrogen, oxygen, sulfur, or selenium atom in
ortho-position to the aniline-nitrogen atom. These substitution rules also apply to cyclic
fragments, but observe the rules for aromaticity. For example, a search for n1c[c,n]c[c,n]c1
will find all pyridine, pyrimidine and 1,3,5-triazine derivatives in the database.
Tip: Due to the relatively slower chemical structure search (approximately ~10000
compounds / minute), searching by structure fragment only can be time-consuming when
checking larger databases, such as the TerraTox - Explorer database. It is therefore
recommended, wherever possible, to combine the structure search with one or more of the
other search options. In general, this will greatly increase the speed of the search.
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View
Structure of n-butylbenzene
Figure 9. Chemical structure search window with SMILES string.
Property Search
The TerraTox search system also allows for the search of (numeric) values and
text conditions in any of the data fields. Each TerraTox database has its own list of effect
and property fields, which are seen in “First property” and “Second property” scrollable
windows. The following examples are from the Explorer database. On activating the
“Property” search tab, as shown in Fig. 3, the Property Search window will appear, as
shown in Fig. 10.
The (identical) lists of searchable properties can be scrolled and one parameter field can be
selected from each list. As the lists contain both fields with numeric values (such as
toxicity values in “pT’ notation) and text fields (such as the “Use / effect” field), the search
options available will change accordingly. For example, clicking on a text-only search
term, such as the “Use / effect” line in the “First property” window, will result in the
“Value search text/number” window to become active together with the “Case sensitive”
window.
When clicking on a numeric-value-only search term, such as “FHM-96 pT” [fathead
minnow 96-hr LC50 in log(L/mmol) units], the “Value search text/number” will become
active together with the “Condition” window. The (numeric) condition available are (i)
equal to (“=”), (ii) greater than or equal to (“>=”), and (iii) lesser than or equal to (“<=”).
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Property Search window 1,
with list of searchable fields
Property Search window 2,
with list of searchable fields
Figure 10. Property search window.
An example of a single numeric property search is shown in Fig. 11. Searching for values
with “FHM-96 pT” for a value of “-5” and the condition “>=” will result in a list of more
than 900 compounds, as shown in Figure 11.
Field to be searched (FHM-96 pT)
Condition from menu (>=)
Value to be searched for (-5)
Number of records found
Figure 11. Property search result.
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Simultaneous Search of Two or More Fields
As mentioned already, TerraTox databases employ highly sophisticated search
systems that allow the simultaneous searching by several search types, namely, name,
formula, CAS, structure, and property search. All what is required is entering the desired
search parameters into the various fields and a click on the “Search” button.
When performing any search, the search status window will appear and inform the user
about the type(s) of search which is (are) under way, the search progress, approximate time
remaining, and the total number of compounds identified so far. An example is shown in
Fig. 12.
Figure 12. Search status window.
Tip: After performing a search with, for example, three simultaneous search types, if the
user decides to drop one of these search types, it is best to use the “Reset” button for that
field, in order to avoid searching for an empty field.
3D Viewer
In addition to the 2D Viewer of the chemical structures, automatically activated
whenever there is information presented to it (for some compounds or mixtures no
structure is shown), the TerraTox system has a built-in 3D Viewer. The latter can be
activated at any time when there is a structure shown in the 2D viewer window by clicking
on the 3D tab, shown in the enlargements in Fig. 13 (2D) and Fig. 14(3D).
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2D/3D tabs
Figure 13. Detailed compound information and 2D structure.
Place the cursor in
here and right click
the mouse…
Figure 14. Detailed compound information and 3D structure (a).
The default display of the 3D display is set to “ball and stick”, but this setting can easily be
changed by placing the cursor into the 3D window and using a “right click” of the mouse
button. This will open a drop-down window to change the display setting, to start/stop spin
of the display, etc., as shown on the same molecule in Fig. 15.
Figure 15. Detailed compound information and 3D structure (b).
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In order to see a chemical structure in 3D with additional formatting, printing and file
conversion capabilities, simply click on the “Details” command tab (location shown in Fig.
9). Activation of “Details” will open a new larger size window, such as shown in Fig. 16.
This viewer system also has its own Help and Options system.
Figure 16. 3D Viewer display, accessible through the “Details” command.
Note regarding 3D structures
TerraBase Inc. cannot guarantee that 3D structures as shown in the Viewer are
always displaying the correct (R or S) form of chiral (optically active) carbon atoms. While
most SMILES codes in TerraTox databases have the this information embedded, we have
noticed that certain canonical (3D) SMILES codes are misinterpreted by the SMILES
interpreter of the Viewer and get switched from one (e.g. “R”) to the other (e.g. “S”) form.
For structures where the correct 3D information may be critical (such as peptide-like
compounds), we recommend using a different 3D viewer, such as the ChemAxon program
“MarvinView”. The latter is available for free download, after free registration, from
ChemAxon, at www.chemaxon.com
In order to get the correct 3D structure picture of a canonical SMILES code
provided in a TerraTox database, use the “Copy text” command and copy the entire
compound information to any text editor. Then copy from there the SMILES string only,
open the MarvinView program and “Edit/Paste” the SMILES string into it. In our
experience, the MarvinView program has always provided the correct R/S structure
information.
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SMILES Notation
The Simplified Molecular Input Line Entry System (SMILES) has been developed
by D. Weininger at the beginning of the 1980’s. It is far superior to the previously used
Wiswesser Line Notation (WLN) for coding and depicting chemical structures, by being
simple, intuitive, and machine-readable. For an excellent tutorial on the SMILES notation,
refer to the Daylight Corp. web site.
Recently, Accelrys Inc. introduced a variety of software modules allowing the
visualization of SMILES codes as chemical structure drawings. In this process, Accelrys
introduced changes to the common (Daylight Corp.) interpretation of SMILES codes by
their software. As a result, lower case “c”, formerly only interpreted as sp2 carbon, is now
interpreted as either as sp2 or sp3 carbon, depending on its surrounding and connections to
other atoms. The determinant here is whether or not the carbon atom is part of an aromatic
ring, as defined by the Hueckel rules. This has ramifications for the correct interpretation
of SMILES strings by the TerraTox programs, as they are built on the backbone of the
Accelrys software. Therefore, all users are cautioned to ascertain that their SMILES codes
follow the rules of the Accelrys software, i.e., to ascertain that only sp2 carbons in ring
systems which satisfy Hueckel conditions for aromaticity are given in lower case “c”; all
other sp2 carbons, whether in rings or not, must be entered as capital “C” together with the
appropriate double bond (“=”) symbols. Some examples of valid and not valid SMILES
strings are listed below in Table 1.
Table 1. Valid and invalid examples of Accelrys’ SMILES code
Substance
cyclopentadiene a
coumarin a
SMILES invalid
c1cccC1
c1cc2OC(=O)ccc2cc1
SMILES valid
C1=CC=CC1
c1cc2OC(=O)C=Cc2cc1
a
The SMILES strings shown as “invalid” are valid per se, however, the
interpretation of these codes by the Accelrys system are the hydrogen-saturated
compounds cyclopentane and 3,4-dihydrocoumarin, respectively.
Literature
Accelrys Inc. (2002); http://www.accelrys.com/.
Daylight Chemical Information Systems, Inc. (2002); SMILES Tutorial.
http://www.daylight.com/smiles/f_smiles.html.
Kaiser, K.L.E. (2003); Neural networks for effect prediction in environmental and health
issues using large datasets. QSAR Comb. Sci., 22: 185-190.
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Kaiser, K.L.E. (1995); Erroneous Data: Avenues for Detection and Prevention [Editorial].
Quintessence, 1(4): 13-16.
Kaiser, K.L.E. and Niculescu, S.P. (2001); On the PNN modeling of estrogen receptor
binding data for carboxylic acid esters and organochlorine compounds. Water
Qual. Res. J. Canada, 36: 619-630 (2001);
http://www.cciw.ca/wqrjc/36-3/36-3-619.htm.
McKinnon, M.B. and Kaiser, K.L.E. (1993); The desktop computer spreadsheet as a
scientific database and powerful research tool. Chemosphere, 27: 1159-1169.
Acknowledgement
TerraBase Inc. acknowledges with thanks the contributions of its contractors and
associates, especially Dr. A. Krajnc and M.B. McKinnon to the development of its
TerraTox products.
Security Features
As other software providers, TerraBase Inc. is interested is preventing
un-authorized duplication and use of its highly sophisticated software products. Therefore,
all copies of this TerraTox program are personalized, i.e., they contain encrypted
information of the name and affiliation of the rightful user. This information is displayed
on the Start-up screen and can be reviewed at any time by activating the About box,
prominently displayed on the main program panel; see Figure 1. Hence, any un-authorized
propagation of this software can be traced back to the original source. Anyone knowing of
any such un-authorized copies is requested to contact TerraBase Inc. We offer generous
rewards for information of any illegal duplication or use of this program, as described in
the About box.
In order for the TerraTox program to function properly, the TerraTox CD has to be present
in a CD-ROM drive on the computer system which is used to run the program.
Other than for archival copies, to be used solely for backup and protection against
loss by the rightful user, duplication of this software is not permitted.
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Legal
License Agreement
The rightful TerraTox user is hereby granted a non-exclusive use license, subject
to the agreement as described in the text below.
TerraTox™
End User License Agreement
NOTICE TO USER: PLEASE READ THIS CONTRACT CAREFULLY. BY USING ALL OR
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SECTION 6 AND 7; LIABILITY IN SECTION 8; AND SPECIFIC EXCEPTIONS IN SECTION
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WITHOUT AN OPPORTUNITY TO REVIEW THIS LICENSE AND YOU DO NOT ACCEPT
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ORIGINALLY PAID IF YOU: (A) DO NOT USE THE SOFTWARE AND (B) RETURN IT,
WITH PROOF OF PAYMENT, TO THE LOCATION FROM WHICH IT WAS OBTAINED
WITHIN THIRTY (30) DAYS OF THE PURCHASE DATE.
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section 7 shall survive the termination of this Agreement, howsoever caused, but this shall not imply or create
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any continued right to Use the Software after termination of this Agreement.
8. LIMITATION OF LIABILITY.
IN NO EVENT WILL TERRABASE OR ITS SUPPLIERS BE LIABLE TO YOU FOR ANY DAMAGES,
CLAIMS OR COSTS WHATSOEVER OR ANY CONSEQUENTIAL, INDIRECT, INCIDENTAL
DAMAGES, OR ANY LOST PROFITS OR LOST SAVINGS, EVEN IF AN TERRABASE
REPRESENTATIVE HAS BEEN ADVISED OF THE POSSIBILITY OF SUCH LOSS, DAMAGES,
CLAIMS OR COSTS OR FOR ANY CLAIM BY ANY THIRD PARTY. THE FOREGOING
LIMITATIONS AND EXCLUSIONS APPLY TO THE EXTENT PERMITTED BY APPLICABLE LAW
IN YOUR JURISDICTION. TERRABASE'S AGGREGATE LIABILITY AND THAT OF ITS
SUPPLIERS UNDER OR IN CONNECTION WITH THIS AGREEMENT SHALL BE LIMITED TO THE
AMOUNT PAID FOR THE SOFTWARE, IF ANY. Nothing contained in this Agreement limits TerraBase's
liability to you in the event of death or personal injury resulting from TerraBase's negligence or for the tort of
deceit (fraud). TerraBase is acting on behalf of its suppliers for the purpose of disclaiming, excluding and/or
limiting obligations, warranties and liability as provided in this Agreement, but in no other respects and for
no other purpose. For further information, please see the jurisdiction specific information at the end of this
Agreement, if any, or contact TerraBase.
9. Export Rules. You agree that the Software will not be shipped, transferred or exported into any country or
used in any manner prohibited by the any law governing such activities either in Canada or the United States,
such as the United States Export Administration Act or any other export laws, restrictions or regulations
(collectively the "Export Laws"). In addition, if the Software is identified as export controlled items under the
Export Laws, you represent and warrant that you are not a citizen, or otherwise located within, an embargoed
nation (including without limitation Iran, Iraq, Syria, Sudan, Libya, Cuba, North Korea, and Serbia) and that
you are not otherwise prohibited under the Export Laws from receiving the Software. All rights to Use the
Software are granted on condition that such rights are forfeited if you fail to comply with the terms of this
Agreement.
10. Governing Law.
This Agreement will be governed by and construed in accordance with the substantive laws in force: (a) the
Province of Ontario, if the license to the Software is purchased when you are in Canada, the United States,
Canada, or Mexico; or (b) in Japan, if a license to the Software is purchased when you are in Japan, China,
Korea, R.O.C, or other Southeast Asian country where all official languages are written in either an
ideographic script (e.g., hanzi, kanji, or hanja), and/or other script based upon or similar in structure to an
ideographic script, such as hangul or kana; or (c) the Netherlands, if a license to the Software is purchased
when you are in any other jurisdiction not described above. The respective courts of Ontario when Canadian
law applies, Tokyo District Court in Japan, when Japanese law applies, and the courts of Amsterdam, the
Netherlands, when the law of the Netherlands applies, shall each have non-exclusive jurisdiction over all
disputes relating to this Agreement. This Agreement will not be governed by the conflict of law rules of any
jurisdiction or the United Nations Convention on Contracts for the International Sale of Goods, the
application of which is expressly excluded.
11. General Provisions.
If any part of this Agreement is found void and unenforceable, it will not affect the validity of the balance of
the Agreement, which shall remain valid and enforceable according to its terms. This Agreement shall not
prejudice the statutory rights of any party dealing as a consumer. This Agreement may only be modified by a
writing signed by an authorized officer of TerraBase. Updates may be licensed to you by TerraBase with
additional or different terms. This is the entire agreement between TerraBase and you relating to the Software
and it supersedes any prior representations, discussions, undertakings, communications or advertising
relating to the Software.
12. Notice to U.S. Government End Users.
The Software and Documentation are "Commercial Items," as that term is defined at 48 C.F.R. §2.101,
consisting of "Commercial Computer Software" and "Commercial Computer Software Documentation," as
such terms are used in 48 C.F.R. §12.212 or 48 C.F.R. §227.7202, as applicable. Consistent with 48 C.F.R.
§12.212 or 48 C.F.R. §§227.7202-1 through 227.7202-4, as applicable, the Commercial Computer Software
and Commercial Computer Software Documentation are being licensed to U.S. Government end users (a)
only as Commercial Items and (b) with only those rights as are granted to all other end users pursuant to the
terms and conditions herein. Unpublished-rights reserved under the copyright laws of the United States by
TerraBase Incorporated, 1063 King St. West, Suite 130, Hamilton, Ontario L8S 4S3, CANADA.
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13. Compliance with Licenses.
If you are a business or organisation, you agree that upon request from TerraBase or TerraBase's authorised
representative, you will within thirty (30) days fully document and certify that use of any and all TerraBase
Software at the time of the request is in conformity with your valid licenses from TerraBase.
14. SPECIFIC EXCEPTIONS.
14.1 Limited Warranty for Users Located in Germany or Austria. If you purchased a license to the
software in Germany or Austria then Section 6 does not apply, instead, TerraBase warrants to the person or
entity that first purchases a license for the Software, that the Software will perform substantially in
accordance with the Documentation for a period of six (6) months following receipt of the Software when
used on the recommended hardware configuration. Non-substantial variations of performance from the
Documentation does not establish a warranty right. THIS LIMITED WARRANTY DOES NOT APPLY TO
UPDATES, FONT SOFTWARE CONVERTED INTO OTHER FORMATS, PRE-RELEASE, TRYOUT,
PRODUCT SAMPLER, NOT FOR RESALE (NFR) COPIES OF SOFTWARE, OR TO SOFTWARE
THAT HAS BEEN ALTERED BY YOU, TO THE EXTENT SUCH ALTERATIONS CAUSED A
DEFECT. To make a warranty claim, you must return the Software, at our expense, to the location where you
obtained it along with proof of purchase within such six (6) month period. If the Software does not perform
substantially in accordance with the Documentation, the entire liability of TerraBase and your exclusive
remedy shall be limited to either, at TerraBase's option, the replacement of the Software, the reduction of the
license fee, or a refund of the license fee you paid for the Software. THE LIMITED WARRANTY SET
FORTH IN THIS SECTION GIVES YOU SPECIFIC LEGAL RIGHTS. For further warranty information,
please contact TerraBase.
14.2 Limitation of Liability for Users Located in Germany and Austria. If you purchased a license to the
software in Germany or Austria then Section 8 does not apply, instead, TerraBase may be liable without
limitation for damages you have incurred under or in connection with this Agreement only if the damage has
been caused by the willful or grossly negligent act of TerraBase or its agents. TerraBase is liable only to the
extent of the typically foreseeable damage for such damages which have been caused by any other negligent
breach of a substantial contractual duty by TerraBase or its agents. These aforementioned limitations apply
irrespective of their legal basis, in particular with regard to any pre-contractual or auxiliary contractual claims.
The limitations shall not apply, however, to any mandatory liability under the applicable German or Austrian
Product Liability Act, nor to any damage which is caused due to the breach of an express warranty to the
extent that such express warranty was intended to protect the user against the specific damage incurred. The
obligations under the second sentence shall not apply if any damage is caused by your having altered the
Software, or if the respective data carriers (media) have been damaged by accident, misuse or inappropriate
use, or if the damage concerned has been caused by the use of the Software in connection with other software
for which the Software was not designated to be used according to the Documentation.
14.3 Pre-release Product Additional Terms. If the product you have received with this license is
pre-commercial release or beta Software ("Pre-release Software"), then the following Section applies. To the
extent that any provision in this Section is in conflict with any other term or condition in this Agreement, this
Section shall supercede such other term(s) and condition(s) with respect to the Pre-release Software, but only
to the extent necessary to resolve the conflict. You acknowledge that the Software is a pre-release version,
does not represent final product from TerraBase, and may contain bugs, errors and other problems that could
cause system or other failures and data loss. Consequently, the Pre-release Software is provided to you
"AS-IS", and TerraBase disclaims any warranty or liability obligations to you of any kind. WHERE
LEGALLY LIABILITY CANNOT BE EXCLUDED FOR PRE-RELEASE SOFTWARE, BUT IT MAY
BE LIMITED, TERRABASE'S LIABILITY AND THAT OF ITS SUPPLIERS SHALL BE LIMITED TO
THE SUM OF FIFTY DOLLARS (U.S. $50) IN TOTAL. You acknowledge that TerraBase has not
promised or guaranteed to you that Pre-release Software will be announced or made available to anyone in
the future, that TerraBase has no express or implied obligation to you to announce or introduce the
Pre-release Software and that TerraBase may not introduce a product similar to or compatible with the
Pre-release Software. Accordingly, you acknowledge that any research or development that you perform
regarding the Pre-release Software or any product associated with the Pre-release Software is done entirely at
your own risk. During the term of this Agreement, if requested by TerraBase, you will provide feedback to
TerraBase regarding testing and use of the Pre-release Software, including error or bug reports. If you have
been provided the Pre-release Software pursuant to a separate written agreement, such as the TerraBase
Incorporated Serial Agreement for Unreleased Products, your use of the Software is also governed by such
agreement. You agree that you may not and certify that you will not sublicense, lease, loan, rent, or transfer
21
the Pre-release Software. Upon receipt of a later unreleased version of the Pre-release Software or release by
TerraBase of a publicly released commercial version of the Software, whether as a stand-alone product or as
part of a larger product, you agree to return or destroy all earlier Pre-release Software received from
TerraBase and to abide by the terms of the End User License Agreement for any such later versions of the
Pre-release Software. Notwithstanding anything in this Section to the contrary, if you are located outside
Canada or the United States of America, you agree that you will return or destroy all unreleased versions of
the Pre-release Software within thirty (30) days of the completion of your testing of the Software when such
date is earlier than the date for TerraBase's first commercial shipment of the publicly released (commercial)
Software.
14.4 Tryout, Product Sampler, NFR, Additional Terms. If the product you have received with this
license is a tryout, product sampler, or NFR copy of the Software ("Tryout Software"), then the following
Section applies until such time that you purchase a license to the full retail version of such product. To the
extent that any provision in this Section is in conflict with any other term or condition in this Agreement, this
Section shall supercede such other term(s) and condition(s) with respect to the Tryout Software, but only to
the extent necessary to resolve the conflict. YOU ACKNOWLEDGE THAT THE TRYOUT SOFTWARE
CONTAINS LIMITED FUNCTIONALITY AND/OR FUNCTIONS FOR A LIMITED PERIOD OF TIME.
TERRABASE IS LICENSING THE SOFTWARE ON AN "AS IS" BASIS, SOLELY AS A
DEMONSTRATION MODEL. If the Tryout Software is a timeout version, then the program will terminate
operations after a designated period of time (e.g. 15. 30. or 45 days) following installation (the "Time Out
Date"), which is specified in the Software. Upon such Time Out Date, the license hereunder shall be
terminated, unless extended by TerraBase upon your purchase of a full retail license from TerraBase. You
acknowledge that such Tryout Software shall cease operation upon the Time Out Date and accordingly,
access to any files or output created with such Tryout Software or any product associated with the Tryout
Software is done entirely at your own risk. TERRABASE DISCLAIMS ANY WARRANTY OR
LIABILITY OBLIGATIONS TO YOU OF ANY KIND, INCLUDING. WHERE LEGALLY LIABILITY
CANNOT BE EXCLUDED FOR PRE-RELEASE SOFTWARE, BUT IT MAY BE LIMITED,
TERRABASE'S LIABILITY AND THAT OF ITS SUPPLIERS SHALL BE LIMITED TO THE SUM OF
FIFTY DOLLARS (U.S. $50) IN TOTAL.
15. This concludes the License Agreement for the TerraTox software. If you have any questions regarding
this Agreement or if you wish to request any information from TerraBase please use the address and contact
information included with this product to contact TerraBase.
Gen_WWCombined_USEnglish_8.7.00_11:14
Trademarks and Copyrights
Windows 95, Windows 98, Windows NT, Windows 2000, Windows ME, and
Windows XP are trademarks of Microsoft Corporation, Redmond, Washington, USA.
Other copyrights and trademarks are those of their respective owners.
Technical Requirements
Operating system: PC with Windows 98, NT, 2000, ME, or XP operating system.
Central processor unit (CPU): No specific requirement, duration of searches will vary with
hard disk and CPU speed; 2.0 GHz or higher CPU recommended.
Mouse or other pointing device: required.
Screen setting: Variable, 800 x 640, or higher recommended.
CD-ROM drive: required.
Other: Presence of the TerraTox CD in the CD-ROM drive is required for program
execution.
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Installation Instructions
The TerraTox software is a fully functional, stand-alone system, easy to install or
uninstall. It consists of four installation parts; we recommend installation in the order given
below. Before proceeding with the installation, please print the Readme.txt file in the root
directory of the TerraTox CD for important installation information and carefully follow
the recommendations given therein.
Part 1. Adobe software
To install the Adobe Reader program (vs. 5.05), which is required to read
the TerraTox Manual (accessible from the “F1” key, or from the “TerraTox Help”
menu), use the Windows – Control – Install/Remove Software command to run the
“ar505enu.exe” in the Adobe folder and follow the instructions.
Part 2. Accelrys software
To install/un-install the Accelrys supporting software, necessary for the
proper functioning of the TerraTox program, use the Windows – Control –
Install/Remove Software command to run each of the “exe” files in the Accelrys
folder. See the Readme.txt file for detailed installation instructions.
Part 3. Viewer software
To install/un-install Viewer supporting software, necessary for the proper
functioning of the TerraTox program, use the Windows – Control –
Install/Remove Software command to run each of the “exe” files in the Viewer
folder. See the Readme.txt file for detailed installation instructions.
Part 4. TerraTox software
To install/un-install the TerraTox software, follow the instructions in the
Readme.txt file.
Customer Support
TerraBase Inc. is committed to effective customer support. With the rapid change
in PC technology, operating systems and other software and hardware changes, the
occasional hiccup is bound to happen. We will try our best to help customers with
problems related to our products, in most cases free of charge. Contact our help
department with any question and concern about our products, either by EMAIL, FAX, or
MAIL.
TerraBase Inc.
1063 King St. West, Suite 130
Hamilton, ON, L8S 4S3, Canada
Fax: 905-527-0263
Internet: http://www.terrabase.ca
Copyright © 2006, TerraBase Inc.
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