============================ * JH PROGRAM SUITE * ==============================
============== * Procedure Mavrovouniotis (organic compounds) * ================
Version 1.00 for Android (ARM)
Compiled 2018-02-17 using X11-BASIC
(C) Alan Liska & Veronika Ruzickova, 2018
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A. BATCH USE
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I. Input file

The standard input contains individual lines describing the type and number
of fragments included in the calculated molecule as in the example of
acetate ion (saved as JH-Mavrovouniotis.inp to 
/mnt/sdcard/JH/Program/Mavrovouniotis/):

-CH3;1
-COO-;1

(please note that the fragment definition is the same as in the database file
JH-Mavrovouniotis.dat).

II. Database and other files

The program comes along with some additional files which must be present
in the same folder as JH-Mavrovouniotis.b when performing calculations. 
These are (including their structure):

essential:

JH-Mavrovouniotis.b (the standalone program)

JH-Mavrovouniotis.dat

Group;G(kcal.mol-1)

JH-Mavrovouniotis.inp
(this file is modified to obtain the desired results)

and as an example

JH-Mavrovouniotis.out
(not necessary to be present, it is generated as a result of the
calculation). 

If the requested fragment is not present in the database file 
JH-Mavrovouniotis.dat, it is possible to add manually the missing
data. 
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B. INTERACTIVE MODE
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As most of programs which deal with structural input data, JH-Mavrovouniotis.b
does not support interactive mode as well. It is necessary to input data through
the file named JH-Mavrovouniotis.inp present in the same folder as other files. 
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C. TROUBLESHOOTING, FEEDBACK
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In case of bugs, any report sent to the authors (alan.liska@jh-inst.cas.cz)
is welcomed. 
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D. DISCLAIMER, LICENSE
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This program is being developed as a freeware with ABSOLUTELY NO WARRANTY
concerning the correct functionality of the software and the reliability of the
predicted data. The authors CARRY NO RESPONSIBILITY for any kind of situation
connected to use of this software as well as ARE NOT OBLIGED to provide any 
kind of support. 
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E. REVISION HISTORY
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1.00 Primary version.
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WARNING
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Please note that not every molecule property is parametrized within requested
set of group contributions. Therefore, some predicted values can be mislead.
Before further use, please check the file JH-Joback.dat for presence of needed
data.
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REFERENCES:
[1] Michael L. Mavrovouniotis, The Journal of Biological Chemistry 266(22)
 (1991) 14440-14445.
[2] Michael L. Mavrovouniotis, Patrick Bayol, Tu-Kien Michael Lam, George
 Stephanopoulos, Gregory Stephanopoulos, Biotechnology Techniques 2(1) (1988)
 23-28.
[3] Michael L. Mavrovouniotis, Biotechnology and Bioengineering 36 (1990)
 1070-1082.
ACKNOWLEDGEMENTS
Markus Hoffmann: X11-BASIC, Version 1.25, 1997-2018, x11-basic.sourceforge.net
(Interpreter & Compiler)
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