Re: The use of a pdb with the sphere diffusion tensor -- January 10, 2008 - 22:08

On Jan 10, 2008 9:59 PM, Sebastien Morin <sebastien.morin.1@xxxxxxxxx> 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