multiple colored strands in MOLSCRIPT?

Mr. N.W. Armstrong nwa at liverpool.ac.uk
Fri Aug 12 03:47:49 EST 1994


P A Keller (bsspak at midge.bath.ac.uk) wrote:

(Stuff deleted)

: The whole strand is then the colour you have specified. Raster3D will allow
: you to generate ribbons from your coordinates, with varying colours, but
: you cannot get strands with arrow heads like Molscript does. 

If you use the -r option in molscript (sorry don't know which version), then
this produces an input file for the render program in raster3d, and the
resulting images can have strands with arrow heads. 

: Another drawback with using Raster3D is that it produces atrocious-looking
: bitmapped postscript (this is really postscript's fault, not Raster3D's),

Disagree with you on this one. The main thing to do is to look in the
raster3d input file (for render) generated by molscript and change the size
of the bitmap (I think by chaning the number of tiles in the image)
- I tend to go for approximately 1200x1200 pixels. Then use imagemagick's 
convert to produce encapsulated postscript files from the avs image format,
using the -density option to get 300dpi (i.e a large! eps file which is 4 inches
square. The output on a dye sub printer is excellent, not at all 'cheesy'.

: so if you use it, you are better off taking photos from the screen (which
: can give really spectacular results). Rasmol/raswin (at least in it's PC
: version) produces vector postscript which may give good results, but I
: haven't got around to investigating this yet. You can get the latest
: versions of rasmol/raswin by anonymous ftp from
: colonsay.dcs.ed.ac.uk:/export/rasmol/ .

I've used rasmol a bit, and like the ease of use, but it's not as powerful
for producing pretty pictures as a combinaation of molscript/raster3d.

Nigel 




More information about the Xtal-log mailing list