RasMol vs Molscript

Steven Brenner brenner at mole.bio.cam.ac.uk
Mon Oct 28 23:11:18 EST 1996


wrp at alpha0.bioch.virginia.edu (William R. Pearson) writes:
>I am having problems getting Molscript to provide the same view of
>a molecule that RasMol does.  I can have RasMol tell me its
>coordinate system (via write script or using rotate commands), but
>when I use those values in Molscript, I do not get the correct
>orientation of my structure.

>How do I convert RasMol rotations to Molscript rotations?


I can't give you the full answer because I'm away from my computer.
However, the main problem is that RasMol orignally used the standard
computer-graphics left-handed coordinate system.  This was fixed early
on, but consequently the coordinates are (I think) different those
used by other programs.

The easiest way to get data from rasmol to molscript is to just use
the "write molscript" command in rasmol.  It will create a molscript
file which preserves the current rotation. 

Steven Brenner




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