crystal lattice reconstruction

Fabrizio Rossi fabri at barbarella.cisi.unige.it.
Mon Apr 18 11:06:51 EST 1994


We are trying to reconstruct full crystal lattices form the information
contained in PDB files of proteins (from the contents of the CRYST1 and 
the MTRIX cards). Is there a standard rule to decide where to place
rotation and screw axes so that to be sure to generate the lattice
that generated the electron densities actually used to solve the
protein? Purely geometric reasoning often leads to multiple options
for the placement of such axes (for instance in P 2 groups) yielding
different crystal lattices.

Thanks in advance for the attention

Fabrizio Rossi

+-----------------------------------------------------------------------------+
+                                                                             +
+          Fabrizio Rossi       ======       SOFT14 at oop.dist.unige.it         +
+          ==============                                                     +
+                                            fabri at ibf.unige.it               +
+                                                                             +
+-----------------------------------------------------------------------------+




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