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<TITLE>Structurer Online</TITLE><META NAME="generator" CONTENT="WebMaster for RISC OS (v1.08b)">
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<P ALIGN="LEFT">Mon 5th July 1999</P>

<H3 ALIGN="LEFT">Java Structurer - Version 1 - by
Daniel Barron </H3>

<P ALIGN="LEFT">Look, I know the interface is decidedly shoddy, but
it's just a direct translation from the Basic. Also the efficiency
is a bit poor as no optimisation has been done yet
at all. If someone wants to write a nice Java frontend
(must be 1.02 compatible for now) instead of mine, then email
me. It is easy - all it needs to do is
produce a connection table of all the atoms and pass it
on to the naming class. </P>
<P ALIGN="LEFT">By the way, this is only my second Java program ever.  Well
except the sound effect applet.  This partly explains the poor interface.</P>
<H4 ALIGN="LEFT">How to add an atom</H4>
<UL COMPACT>
<LI>First
select the atom type to add by pressing the appropriate key,
E.g. 'C' for carbon, then 
<LI>Press the left button on the
mouse with the pointer in the correct position on the screen.</UL>
<P ALIGN="LEFT">Note
that the interface will not allow you to place atoms too
close together.</P>

<H4 ALIGN="LEFT">How to remove an atom</H4>
<UL COMPACT>
<LI>Move the pointer of
the mouse over the atom you wish to remove, then
<LI>Press
the adjust (right) button.</UL>

<P ALIGN="LEFT">Note that the interface will only allow
a small amount of error in the positioning if the mouse
pointer over an atom. And that all bonds connected to the
atom to be removed will automatically also be removed for you.</P>

<H4 ALIGN="LEFT">How to bond two atoms together</H4>
<UL COMPACT>
<LI>First select the bond order of
the bond by pressing '1', '2', or '3', then
<LI>Move the
pointer of the mouse over the first atom you wish to
join and click select, then
<LI>Move the pointer of the mouse
over the second atom you wish to join the first atom
to and click select.</UL>

<P ALIGN="LEFT">Note that you can abort a bond
addition by pressing 'A' after first selecting the first atom. You
do not need to bond atoms as soon as you have
drawn them and can leave adding bonds until the end. You
can draw a bond over the top of another bond to
replace it with one of a different bond order.</P>
<H4 ALIGN="LEFT">How to remove a bond</H4>
<UL COMPACT>
<LI>First select bond removal by pressing '0', then
<LI>Move
the pointer of the mouse over the first atom the bond
is joined to and click select, then
<LI>Move the pointer of
the mouse over the second atom that the bond is joined
to and click select.</UL>

<P ALIGN="LEFT">Note that you can abort a bond
addition or removal by pressing 'A' after first selecting the first
atom.</P>

<H4 ALIGN="LEFT">How to submit the structure to the IUPAC parser</H4>
<UL COMPACT>
<LI>Make
sure that all atoms are joined and that there are no
valency violations, then
<LI>The molecule will be automatically named
<LI>When you
have finished noting the name you can modify the molecule.</UL>

<H4 ALIGN="LEFT">The
summary list of keys</H4>

<P ALIGN="CENTER"> 0 - Remove bond<BR>
1 -
Add a single bond<BR>
2 - Add a double bond<BR>
3
- Add a triple bond<BR>
A - Abort bond action<BR>
C
- Add a carbon atom<BR>
O - Add a oxygen atom<BR>
N
- Add a nitrogen atom<BR>
F - Add a fluorine atom<BR>
I
- Add an iodine atom<BR>
B - Add a bromine atom<BR>
P
- Add a phosphorus atom<BR>
S - Add a sulfur atom<BR>
L
- Add a chlorine atom<BR>
E - Add a silicon atom<BR>
Backspace
- Remove atom<BR>
Click - Add or remove a bond or
atom</P>

<P ALIGN="LEFT">I do appologe for the spelling of sulphur as sulfur,
but due to the mad americanisation of the entire world, the
IUPAC spelling is the latter. </P>

<P ALIGN="LEFT">This page is just a
quick way for me to get my project online for the
first time. Any comments, email me (daniel@beebug.co.uk).</P>
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