How not to draw specular reflections in Molscript?

Per Kraulis krpx at desmond.sto.pharmacia.se
Tue Feb 20 04:02:39 EST 1996

Martin J. Dellwo wrote:
> >>      Can anyone tell me how to get rid of (or, alternaticely, print in a
> >>colour other than black) the specular reflections which Molscript insists on
> >>drawing on any atom in cpk or ball-and-stick format?

There is no way to tell MolScript to remove the specular reflection. One
has to edit the PostScript file (specifically the /Sphere definition) to
do this.

Those of you who have read my paper describing MolScript (Kraulis, J.
Appl. Cryst. (1991) 24, 946-950) may have noticed that I call the
specular reflection "Donald-Duck" shading. I consider this shading
method somewhat of a trademark for MolScript, and I therefore hesitate
to allow removing it. ;-)

Seriously, because of the questions posted here, I think I will put in a
command "set noreflection" (or maybe "set nodonaldduck"?) in version 1.5
of MolScript, which I am working on now and then.

As usual, I make no commitments as to when 1.5 will be released. Nor as
to what it will contain.

> >I was able to edit the PostScript file so that the ligands stop at
> >the outer surface of the ion.
> I'm surprised one can't do this using molscript commands.  Perhaps
> this is the difference between drawing bonds versus ball-and-stick?

Unless I misunderstand what the problem is, bonds vs. ball-and-stick has
nothing to do with this. The way to do this within MolScript is to
change the position of the molecule in the z direction (to/from the
viewer) and the position of the front clipping plane ("slab"). By
fiddling with this, one can cut away stuff which is in front. It will
probably take a little time and work, though.

Yours sincerely,
Per Kraulis, Ph.D.
Pharmacia & Upjohn
Biopharmaceuticals R&D, N62:5   phone: +46 (8) 695 78 34
S-112 87 Stockholm              fax:   +46 (8) 695 40 82
SWEDEN                          e-mail: per.kraulis at sto.pharmacia.se
"Nothing is more difficult than simplicity." Unattributed.

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