[phenixbb] modification of nonbonded geo restraints between symmetry mates

[Alejandro Buschiazzo]

Dear PHENIX users,

I wonder what is the 'correct' way of (re)defining geometric restraints 
among atoms.

Here's what I need to do : I have several cations that are chelated by 
protein residues; some of them involve residues from the same monomer, 
yet others involve atoms from both the ASU monomer as well as crystal 
neighbors (i.e. symmetry mates).
I see that in the .geo file, these parameters are taken into account as 
nonbonded simple and nonbonded asu respectively ... how can I change the 
ideal distances to get proper Zn+2 coordination bonds for both kind of 
partners?

Thank you in advance for your help!

-- 
Alejandro Buschiazzo, PhD
Research Scientist
Laboratory of Protein Crystallography
Pasteur Institute of Montevideo
Mataojo 2020
Montevideo 11400
URUGUAY

Phone: +5982 5220910 int. 120
Fax:   +5982 5224185