syntex for 'patch' card

Ethan A Merritt merritt at u.washington.edu
Thu Mar 25 12:38:45 EST 1999


In article <"0325161916-Re:.syntex.for.'patch'.card"@MHS>,
 <JAMES.R.KIEFER at monsanto.com> wrote:
>
>        For whatever reason, you are not able to perform complex atom selections
>        in X-PLOR during patching.  [You cannot define BOTH the segid and the 
>        residue number.]

You must be thinking of something else.  The syntax that Satya proposed is,
in fact, correct.  His problem apparently lies elsewhere.  
Here are lines from an input file that I have used successfully 
with both X-PLOR 3.1 and 3.851

topology @TOPPAR:tophcsdx.pro end
! [lots of other stuff omited for clarity]
! Patch in disulfides
patch DISU
    reference=1=( resid  9 and segid D )
    reference=2=( resid 86 and segid D )
end
patch DISU
    reference=1=( resid  9 and segid E )
    reference=2=( resid 86 and segid E )
end

				Ethan A Merritt
				merritt at u.washington.edu




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