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.
