On 27/06/14 12:00, Reza Khayat wrote:
> Hi,
>
> I'd like to do some soaking experiments with a relatively large molecule. Can
> someone suggest a program/method to display the solvent channels of a
> crystal? We have the crystal structure. I'd like to see if the channels are large
> enough to allow the molecule to travel to the hypothesized binding site.
> Thanks.
>
Hi,
Coot has an implementation of Smart's HOLE. Maybe you can use that?
I generated some lysozyme symmetry copies and guessed a start and end
point for illustration - not a great example, but I hope you get the
general idea:
http://www2.mrc-lmb.cam.ac.uk/Personal/pemsley/coot/web/screenshots/Screenshot-hole.png
Paul.
p.s. one thread, one topic please.
|