Suggestions
José R. Valverde
jrvalverde at cnb.uam.es
Tue Oct 8 14:14:29 UTC 2002
A couple of suggestions for the Jemboss user interface:
1) Why not integrate B/Biomer with Jemboss so structure files
(PDB) may be loaded, visualised, built AND modelised by molecular
dynamics/mechanics.
B/Biomer has already all this, and is open code and free
academic software.
http://www.scripps.edu/case/Biomer/index.html
I've been wanting to do this for almost two years now, but
have not been able to find the time needed to start with it (sic).
I still would like to, and perhaps with some minor help I could.
In principle all that would be needed is a connection similar to that
available for Cinema: a menu item opening a window where one can
select/drag a PDB file and perhaps a "connection" of .pdb/.ent/.brk
files to the program.
It might be a good starting point to grasp other MD software
(but again, my adaptation of TINKER to embassy is long due and delayed).
2) Simpler: a way to save user preferences locally, and most
prominently among them, things like the "mail server" to be used by
CINEMA, which is a pain that needs localisation almost everywhere.
j
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