[modeller_usage] HETATM MSE records

[Thomas Gaillard <thomas.gaillard AT polytechnique.edu>]

Hi,

I have noticed that some HETATM records are read by Modeller and
automatically handled as corresponding standard residues (for example
MSE -> MET), even if env.io.hetatm is set to False. It is explained at
http://salilab.org/modeller/9.9/manual/node171.html.

I would like to know if you could suggest a way to disable this
behaviour and really ignore all HETATM records.

I have tried to remove the MSE line from restyp.lib and provide my
reduced restyp.lib with env = environ(restyp_lib_file='myrestyp.lib'),
but this does not seem to work as the MSE still appears to be read and
taken into account as MET by Modeller.

Thanks for your time,

-- 
Thomas Gaillard
Maître de conférences
Laboratoire de Biochimie
Ecole Polytechnique
91128 Palaiseau cedex
tel: +33 1 69 33 48 62
fax: +33 1 69 33 49 09
thomas.gaillard AT polytechnique.edu
http://bioc.polytechnique.fr/~gaillard