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SS bridges
- To: modeller_usage@listsrv.ucsf.edu
- Subject: SS bridges
- From: Bozidar Yerkovich <bozidar AT salilab.org>
- Date: Wed, 14 Aug 2002 12:38:17 -0400 (EDT)
>From Eric:
Hi Pedro;
You can tell modeller to make particular disulfide bridges using this sub
routine:
SUBROUTINE ROUTINE = 'special_patches'
PATCH RESIDUE_TYPE = 'DISU', RESIDUE_IDS = '160: ' '190: ' # 160 is the
cystein number on the
sequence
PATCH RESIDUE_TYPE = 'DISU', RESIDUE_IDS = '122: ' '206: '
PATCH RESIDUE_TYPE = 'DISU', RESIDUE_IDS = '76: ' '128: '
RETURN
END_SUBROUTINE
Good luck
Eric
------------------------------------
Dr Eric Feyfant
Computational Chemist
Departement of Biological Chemistry
Wyeth Research
85 Bolton St.
Cambridge, MA 02140
tel: +1 617 665 8987
fax: +1 617 665 8993
email: efeyfant AT wyeth.com