[phenixbb] restraints_edits.params -- inquiries -- issues

[p.auffinger]

Hi phenix users,

I started to add restraints to a large ribosomal file
by using the file (in full) below.

I encountered two issues:

1)
The first one is:
how to use this file in the GUI?
It seems to get rejected while its accepted 
when I run phenix through the command line.

2)
The second is:
restraints involving water molecules with
residue numbers > 9999 get rejected.
Could that limit be overcome through a future
patch?

###
refinement.geometry_restraints.edits {
  MG_8078   = chain 0 and resname  MG and resid  8078 and name MG
  W_12641   = chain 0 and resname HOH and resid 12641 and name O   
  bond {
    action = *add
    atom_selection_1 = $MG_8078
    atom_selection_2 = $W_12641
    symmetry_operation = None
    distance_ideal = 2.2
    sigma = 0.1
    slack = None
   }
 }
###

Thanks for any thoughts on this,

Pascal



-----
Pascal Auffinger
IBMC/CNRS
15 rue René Descartes
67084 Strasbourg Cedex

p.auffinger at ibmc-cnrs.unistra.fr
-----

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