Re: [Jmol-users] Re: multiple models --applet only

[Bob H. <ha...@st...>]

It is possible to synthesize models using Javascript and the applet by us=
ing the=20
showfile() and loadInline() functions. But this takes some expertise. If =
the=20
formats are different, this could be an issue, but again, with a little=20
manipulation it can be done. It's not really such a big deal to convert M=
OL=20
format to PDB format within JavaScript. It would be a nice project unto i=
tself,=20
though, (i.e. I don't have time to do it but would be happy to assist) to=
 make a
general page that could do the synthesis at the browser end. I experiment=
ed with=20
this a bit just to see what might be done. See

http://www.stolaf.edu/people/hansonr/jmol/merge/merge.htm

In there is a MOL file reader that basically converts a simple MOL file t=
o a=20
JavaScript data structure.

Of course, the next thing you are going to want to do is move those piece=
s
relative to each other.....

Bob Hanson


Miguel wrote:

>>Is it possible to load a pdb file with a protein and a mol file
>>simultaneous.
>>If so how do you do that?
>=20
>=20
> Per Egon's message, this is not currently possible.
>=20
> If you try to load several models several questions get raised:
>=20
> Q: What scaling factor would you expect to be applied?
>=20
> Regarding centering ...
>=20
> The first model gets centered on the screen.
>=20
> Q: I assume that you do not want the second model centered on the scree=
n
> ... please confirm.
>=20
> Q: Will the coordinates of the second model be 'correct' in that it wil=
l
> appear in the correct position relative to the first model.
>=20
>=20
> If not, and if it is necessary to manipulate each model independently,
> then it is a *lot* of work.
>=20
>=20
>>By the way this is a great applet,
>=20
>=20
> Thanks!
>=20
> Miguel
>=20
>=20
>=20
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--=20

Robert M. Hanson, ha...@st..., 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:ha...@st...
http://www.stolaf.edu/people/hansonr

"Imagination is more important than knowledge."  - Albert Einstein