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MACROmolecular modelling?

dmitry pruss pruss at helix.nih.gov
Tue Jul 5 13:14:16 EST 1994


Modelling MACRmolecular complexes isn't so much similar to molecular
modelling. 

Instead of a few sorts of building blocks with relatively rigid constraints
on their mutual arrangement, one would operate with bricks-and-pipes
pretending to be protein/DNA - relatively diversified shapes which can be
aligned to one another in all possible fashions.

I'm currently out to model nucleosomal arrays by wrapping pipe-like nucleic
acid on barrel-like proteinous bodies.

Sounds simple? You try it.

I got hold of Ray Dream Designer for Mac - the vendor charachterized it
basically to most mainstream tool for 3D drawing. I drew a few
*macromolecules* before giving it up:

It has very poor alingment tools - e.g. to stick one DNA (pipe) segment on
the end of another one is a pain;

It can draw relatively complex shapes like e.g. helix - but with
superhelices, it's at loss

and the most horrible thing goes last as usually:

An extremely fancy and extremely slow rendering procedure gives you a PICT
file with reflections and shades and such which I actually don't need at
all. A PostScript picture showing actual boundaries of the objects'
projections as well as the layers order (which object obsures which) - it's
the most I need. To make a powerful machine run for couple hours just to see
where a corrections should be made in a picture? I better shoot myself :(

Thanx for any suggestions,
				D 



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