[ccp4bb]: refmac and cns quirks

[chernhoe <chernhoe@imcb.nus.edu.sg>]

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Well, I have a monomer so no chain identifier is needed. When I run
through refmac, it automatically names it chain X. Other refinement
progs like SHELXL and CNS don't do this. This isn't that important,
though I would like to switch it off.

A different problem is that CNS shifts my heavy atoms, say HG by one
column to the right and that causes the HG atom to not be recognized by
refmac and shelxl. So I have to shift it back again one space the left
for them to be parsed properly. Anyone familiar with this?

On Wed, 2003-03-26 at 18:37, Jan Dohnalek wrote:
> I am afraid you have to explain a bit more what
> you want to do.
> Jan
> 
> chernhoe wrote:
> > 
> > ***  For details on how to be removed from this list visit the  ***
> > ***          CCP4 home page http://www.ccp4.ac.uk         ***
> > 
> > does anyone know how to tell refmac not to put in a chain X when there
> > is only a single protein chain being refined?
> 
> -- 
> ----------------------------------------------------
> Jan Dohnalek
> York Structural Biology Laboratory
> Department of Chemistry
> York
> YO105YW
> 
> E-mail: jd23@york.ac.uk
> Phone: +44 1904 328270  Fax: +44 1904 328266
> 
> (Institute of Macromolecular Chemistry, Academy of Sciences
> of the Czech Republic, Prague, Czech Republic)
> ----------------------------------------------------
>