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Dear All,
Does anyone have a quick way to change the occupancies of atoms/residues rather than going through the Edit... Residue info... route?
I can think of 2 common scenarios where this would be useful (to me at least!):
1.
I want to change the occupancy of a ligand (e.g. to zero, so that it is ignored by refinement). As the ligand could be made up of several residues, a residue range function would be useful.
2.
I have introduced an alternative conformation to a side-chain so that I now need to reduce the occupancy of a water molecule that clashes with this new conformation.
Apologies if this is documented somewhere that I have neglected to look.
Many thanks in advance,
Dave Lawson
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Dr. David M. Lawson
Department of Biological Chemistry,
John Innes Centre,
Norwich,
NR4 7UH, UK.
Tel: +44-(0)1603-450725
Fax: +44-(0)1603-450018