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PKQuest
Setup Instructions:
I. Java version.
Click the "Download Java" option, save the PKQuest_Java.zip
file to you computer and unzip it. Double click the
pkquest.jar file to run PKQuest. See Tutorial.doc for detailed
instructions. Note: you must have a recent version of the Java
Runtime Environment (JRE) installed on your computer.
II. Maple version.
You first must install Maple before you can install this version
of PKQuest. See
http://webstore.maplesoft.com/ for details about
purchasing Maple.
Download PKQuest from
http://www.pkquest.com/.
Maple is an
intrinsically interactive program, and the setup is a bit messy
compared to the usual Windows programs you are familiar with. The
following detailed instructions are designed for users that do not
have a lot of familiarity with Maple. More experienced users may
want to modify this procedure.
1) Create the
PKQuest folders.
In the following instructions it will be
assumed that you have created the following folders:
a) A main PKQuest folder: for example in
Windows:
C:/Documents and Setting/Yourname/My
Documents/pkquest
b) A library subfolder in pkquest, for example
C:/Documents and Setting/Yourname/My Documents/pkquest/library
In the rest of these instructions, it will be
assumed that the above specific file names are used. You should
change the names to whatever path you prefer.
2) Write and save the maple.ini file.
This file is called when Maple is first
opened. It is used to tell Maple where to look for Maple
libraries. Create a text (ascii) file (e.g. using Word and saving
as "Text only" format) containing the following on one line
(note, this is the name of library subfolder).
libname:="C:/Documents and Settings/Name/My
Documents/pkquest_prog/library",libname;
On windows systems: Save this with the
filename maple.ini in the folder C:\Program Files\Maple
9.5\LIB.
On Mac systems: Save this with the filename
Maple 9.5 Init Preferences
in the folder Global Preferences
(I think ???).
3) Download the PKQuest routines (Maple worksheets) from
www.pkquest.com. There are two zip files on the Download
page: the Program zip file and Application zip file.
The program zip contains the following 8 worksheets:
1) pkquest.mws The Maple
procedure that actually runs PKQUEST when called
2) gensolve_date.mws A set of Maple
procedures that does most of the work.
3) numeric_routines_date.mws A set
of numeric routines called by gensolve.
4) deconvolve_date.mws A set of routine used for
deconvolution.
5) help_date.mws The worksheet that contains all the
help descriptions.
6) setup_date.doc A Word document
providing the setup instructions
7) Manual_PBPK.doc A Word document
manual for using PKQuest
8) Manual_deconvolution.doc A Word document manual for
deconvolution.
Move pkquest.mws to the main PKQuest
folder (C:…/pkquest).
Move help_date.mws, gensolve_date.mws,
numeric_routines_date.mws and deconvolve_date.mws to the library
subfolder …./pkquest/library .
The Application zip file contains a set
of specific solute worksheets:
i.e. solutename.mws (e.g. ethanol.mws,
inulin.mws, propranolol.mws)
Note: A few of these files may have not been
updated for compatibility with recent changes in the PKQuest
program. If you have any questions about their use, contact D.
Levitt (levit001@umn.edu).
4) Install PKQuest:
a) Start the Classic interface version
of Maple. A Maple worksheet (Untitled) will open. You should
see at the top of this worksheet the line:
libname := "C:…./pkquest/library",
"C:\Program Files\Maple 8/lib" where the first term in the " " is
determined by the line you inserted in maple.ini.
This indicates that there is a path to the
pkquest library file and that libname[1]="C:…/pkquest/library".
b) Enter the command:
march('create',libname[1],1000);
This creates a Maple "repository" in the folder
libname[1] (=…./pkquest/library)
c) Open help_date.mws worksheet.
Place pointer over any red letter in this worksheet and "Press
enter". This compiles all the routines in this worksheet and saves
them to the Maple repository in libname[1].
( Note: you may get message: "During help
initialization - could not open any files" - Just click OK and
ignore.)
d) Repeat procedure (c) for gensolve_date.mws
worksheet.
e) Repeat procedure (c) for numeric_routines_date.mws
worksheet.
f) Repeat procedure (c) for
deconvolve_date.mws worksheet..
This completes the installation of the
Library Files. Close and exit Maple.
V) Run PKQUEST:
a) Start Maple and then open the
worksheets pkquest.mws and any solutename.mws (e.g. D20_shlorb.mws).
b) Place flashing pointer over red letter in solutename.mws
and enter (compile).
c) Insert the call to solutename.mws
into pkquest.mws (e.g. propranolol_iv_fagen()) or just uncomment
(remove # sign) the name if it is listed already.
d) Adjust the plot parameters in pkquest(). Initially, the
only parameter that you may need to change is the value of (ip,1) in
modelplot. Set (ip,1) = vein,artery or arm (=antecubital vein)
for most solutes, set (ip,1) = lung to plot end tidal concentration
for volatile solutes.
e) Place flashing pointer over any red
letter in pkquest.mws and enter (compile).
f) PKQuest is now compiled for these
specific conditions: entering "pkquest();" will run the program.
g) If you change anything in either pkquest.mws or solutename.mws, place pointer over red letter and
"enter" to recompile.
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