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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