[Dock-fans] dms installation problems
pett at cgl.ucsf.edu
Fri Mar 16 14:38:17 PST 2007
> I would really like to see something done about DMS. I know these
> wonderful programs are free and we should be appreciative even to
> have them. But that is no excuse for them to be as dense as an I-
> beam. I previously set up DOCK 5.4 on an older PC last school
> year. Classes got in the way and I never did anything with it.
> Installing DMS was a nightmare then as well. Recently I started a
> project that requires docking. I have a brand new PC with a core-
> duo processor that I want to use for docking. And I get to go
> through DMS again.
> First of all, the link to download it doesn't work at home or here
> at work. I had to use Yahoo to find it in somebody's open FTP site
> (Thank you stranger). Second, if you are not a Unix junkie,
> installing it is a nightmare that takes up so much time and is so
> frustrating that it ultimately makes you want to use a different
> program entirely.
> Is the emphasis on free or usable? Can't this thing just be folded
> in with DOCK some kind of way? Or distributed in such a way that
> you don't have to be a Unix pro just to get it to work?
It is our intention to have Chimera generate a DOCK-compatible DMS-
style file as a first step, and after that have it directly interact
with spheregen, eliminating the need for an intermediate DMS file
altogether. Unfortunately, those features are awaiting the rewrite
of Chimera's surfacing library which has proven to be somewhat
intractable. Once we have a stable surfacing library written, it
would be included in a Chimera release within a month or so. The DMS-
generation capability would follow on in a month or two after that.
The trick is that it is hard to predict when the stable surfacing
library will be finished. If our current algorithmic approach pans
out, it will be a matter of weeks. If there proves to be some fatal
flaw in our current approach, it could be months.
So unfortunately the current scheme involving DMS will probably
remain unchanged until then as we devote our efforts to implementing
the alternative above.
UCSF Computer Graphics Lab
pett at cgl.ucsf.edu
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