I tried the line a you proposed :
UNRES = None
and it yields an error.
relax> unselect.read(run='tm0', file=None, dir=None, change_all=0, column=0)
RelaxError: The file name argument None must be a string.
However,
UNRES = 'None'
does not yield this error and the script proceeds...
Am I right ?
Séb :)
Edward d'Auvergne wrote:
On Jan 10, 2008 9:59 PM, Sebastien Morin <[EMAIL PROTECTED]> wrote:
Thanks Ed !
Another similar would maybe ease life of users without PDB or with small
proteins... We could add the possibility of not having any file for
unresolved residues...
The lines :
=============
# The file containing the list of unresolved residues to exclude from the
analysis.
UNRES = 'unresolved'
=============
could become :
=============
# The file containing the list of unresolved residues to exclude from the
analysis (set this to None if no residue is to be excluded).
UNRES = 'None'
=============
This should be:
UNRES = None
rather than a string. The user will instantly see the problem if
'None' is supplied as a string. But this is a good idea, so feel free
to make the changes. Don't forget to port the changes to the 1.3 line
using 'svn merge'.
Regards,
Edward
--
Sebastien Morin
Etudiant au PhD en biochimie
Laboratoire de resonance magnetique nucleaire
Dr Stephane Gagne
CREFSIP (Universite Laval, Quebec, CANADA)
1-418-656-2131 #4530
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