Re: How to define a sphere to minimize?

From: Bill Ross <photoriot_at_yahoo.com>
Date: Mon 21 Oct 2002 08:11:19 -0700 (PDT)

> GROUP g1 (RES NAME PYR) ;
> CUTRES c1 g1 34.0 ;

> This "analin" file gives me an "analout" file with
> all the residues within 34 Angstroms from a residue
> called "PYR".

Note that it gives all residues within 34 A of _all_
residues named PYR, so if there are > 1 and only 1
is desired, it must be specified by number.

Bill Ross
Received on Mon Oct 21 2002 - 08:11:19 PDT
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