FRODO/crystalline structure visualisation

goldman at mbcl.rutgers.edu goldman at mbcl.rutgers.edu
Thu Jun 25 11:33:08 EST 1992


In article <1992Jun24.185759.19608 at bas-a.bcc.ac.uk>, SA121 at phx.cam.ac.uk (Arrowsmith) writes:
> Does anyone have any experience with using FRODO for several
> molecules together, ie a whole (or partial) unit cell?  I've
> been using it to try and observe solvent channels, and either
> it or the display (Evans & Sutherland PS300) isn't really up
> to the job.  I'm curious to know if anybody has tried this 
> sort of thing before, and if they've come to the same conclusions
> as I have.
> 
> Replies by e-mail prefered, but posting may give this group a 
> little traffic for once!

Well, here's a post.  I would think it would depend on the number
of atoms you want to display; there is a limit hard-coded into Frodo.
Other than that, all you have to do is enter your symops in SAM
and then specify a suitably humungous symmetry radius in CHAT, turn
symm on (command SYMM) and off you go.

               Adrian Goldman




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