Re: [COOT] quick way to change the occupancies?

[luzuokun]

Hi, pdbset in ccp4 or phenix.pdbtools may achieve this. A not so complicated shell script sentense can do it too. Best lu 发自：K3 Note 在 2016å¹´1月16日 上午1:22，"david lawson (JIC)" <david.law...@jic.ac.uk>写道： 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   -------------------------------   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 Email: david.law...@jic.ac.uk