Hi again - apologies if my email came over as a complaint. I
was very happy with Jmol and with the support I got from people,
including Egon, at the time. I did submit changes to Jmol to the
list, and interest was expressed, and when I say that these
changes got lost I meant that development of the program went
into other directions. And though I was working on a current
version at the time I started, when I was ready to submit my
changes I think similar things had already been done in a
different way.

The changes I made to the "core" of Jmol involved creating a
structure for storing bonds, which was not there at the time,
I think - they were calculated automatically and not stored
before rendering. I also found a bug that caused every bond
to be painted twice. In theoretical terms, the code was going
through all fields of the (symmetric) connection matrix when
all that was needed was the upper (or lower) triangle. I seem
to remember having to consider the order atoms and bonds were
painted as well. But these are vague memories, and I'm certain
all those issues are irrevelant by now.

In theory, it should be possible to incorporate a new version
of Jmol into CaGe, and in my previous email I tried to define
the interface that would be needed. In practice, such a thing
is not likely to happen, but I remain interested because of
the amazing development he applet seems to have had.

My message mainly was about not forgetting my requirements,
when I saw that others may have similar ones. I didn't see
any arrogance coming from the developers, neither then or now,
and I fully understand the resource limits. You're doing great
work. Just wanted to point out that relying and possibly
improving the applet's "smartness" in terms of bonds and
positions may not be all that users want.

Sebastian




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