dear users,
I model a multimeric protein, and I need to patch several disulfide bonds.
If I use an alignment like
TTTTTT/
TTTTTT/
TTTTTT/
TTTTTT/
TTTTTT*
MMMMMM/
MMMMMM/
MMMMMM/
MMMMMM/
MMMMMM*
SUBROUTINE ROUTINE = 'special_patches'
PATCH RESIDUE_TYPE = 'DISU', RESIDUE_IDS = '126:A' '140:A'
PATCH RESIDUE_TYPE = 'DISU', RESIDUE_IDS = '188:A' '189:A'
PATCH RESIDUE_TYPE = 'DISU', RESIDUE_IDS = '126:B' '140:B'
PATCH RESIDUE_TYPE = 'DISU', RESIDUE_IDS = '188:B' '189:B'
# ...
RETURN
END_SUBROUTINE
(which is supposed to work according to the manual) Modeller complains that
the synthax '126:A' is not recognized and stops. I then have to fuse all
the subunits and perform the following
TTTTTT
TTTTTT
TTTTTT
TTTTTT
TTTTTT*
MMMMMM
MMMMMM
MMMMMM
MMMMMM
MMMMMM
SUBROUTINE ROUTINE = 'special_patches'
PATCH RESIDUE_TYPE = 'DISU', RESIDUE_IDS = '126' '140'
PATCH RESIDUE_TYPE = 'DISU', RESIDUE_IDS = '188' '189'
PATCH RESIDUE_TYPE = 'DISU', RESIDUE_IDS = '332' '346'
PATCH RESIDUE_TYPE = 'DISU', RESIDUE_IDS = '394' '395'
# ...
RETURN
END_SUBROUTINE
Of course at the end I have one huge protein and I have to cut it by hand,
not very convenient ...
Any idea ?
PS: Is it me or an alignment without a final blank line is not read?
--
Nicolas Le Novère
Neurobiologie Moléculaire, Institut Pasteur, 75724 Paris cedex FRANCE
e-mail : http://www-alt.pasteur.fr/~lenov
tel : 33-(0)1-45-68-88-44 fax : 33-(0)1-45-68-88-36