[phenixbb] How to export difference patterson map in PHENIX

Nathaniel Echols nechols at lbl.gov
Mon Feb 11 09:19:13 PST 2013

On Mon, Feb 11, 2013 at 9:03 AM, 李翔 <lixiang1642 at gmail.com> wrote:
> I got a native and derivative dataset (by soaking) of my crystal and want to
> do MIR in phenix. I am wondering whether there is a way for me to export the
> difference Patterson map so I could have a better idea that whether the
> heavy atom is really in the crystal?

Not that I'm aware of, although there may be a way to use SOLVE
directly for this using keyword input.  It is probably not very
difficult to implement in CCTBX - I have most of the necessary code
already but I couldn't get it to agree with the output from CCP4, so I
assume there's some important detail I'm missing.


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