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Optimizing Models
- To: modeller_usage
- Subject: Optimizing Models
- From: DEBASHIS MUKHOPADHYAY <deb AT indy.saha.ernet.in>
- Date: Mon, 22 Jun 1998 15:16:52 -0700
- Organization: SAHA INSTITUTE OF NUCLEAR PHYSICS
- Reply-to: deb AT cmb2.saha.ernet.in
Dear Modellers,
It appears that I have successfully modelled a mutated protein using
'model.top' routine which generated 20 output co-ordinates to choose
from. It is noted that each file contains a parameter called MODELLER
OBJECTIVE FUNCTION - most possibly indicating the model quality(?).
Now, the question is which value of the function to consider - the
lowest one or vice versa?
Also, when I checked the secondary str. etc. of one such model using
PROCHECK, several bad contacts were noted. Can you suggest any
particular 'top' routine which will eventually eliminate all these / or
optimize them, so as to make the model acceptable?
Thanks in advance.
Debashis