[phenixbb] symmetry related bond restraint
Bryan Lepore
bryanlepore at gmail.com
Fri Aug 26 08:49:53 PDT 2011
[ dev-837 ]
I am trying to understand a symmetry operation from coot as it bears
on phenix bond in the geometry restraints. in essence:
in coot, origin-pre-shift is (-1 0 0) and the symmetry-related atom I want is
Y,X,-Z + (0 1 1)
however, the correct operation in phenix is
Y,X,-Z+1
... I suspect I simply do not understand the transformation. if i
could at least confirm this math is correct, i'd appreciate it.
-Bryan
supplemental:
* SG92
* apparently correct because the geometry checks fail otherwise
* the scenario is similar to the thread linked below:
http://www.phenix-online.org/pipermail/phenixbb/2010-April/015000.html
* essentially a crosspost by me on coot the other day :
https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=COOT;e45be09a.1108
* coot 0.6.2 rev-3562
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