Re: [PyMOL] Symmetry Expansion

2010-04-16 Thread Jason Vertrees
Thomas, You're right--thanks for the correction. The script is now called BiologicalUnit. -- Jason On Fri, Apr 16, 2010 at 7:34 AM, Thomas Holder wrote: > Hi Jason, > > the result of "symexp" is not supposed to be the biological unit, right? > It produces any symmetry mate, whereas your Manual

Re: [PyMOL] Symmetry Expansion

2010-04-16 Thread Thomas Holder
Hi Jason, the result of "symexp" is not supposed to be the biological unit, right? It produces any symmetry mate, whereas your ManualSymExp reads the REMARK 350 which is the annotated biological unit. It is a very useful script, but has a bug: If there is more then one biomolecule annotated, for e

Re: [PyMOL] Fwd: feature request: supercell construction

2010-04-16 Thread Thomas Holder
On Thu, 2010-04-15 at 15:46 -0600, Nicolas Bock wrote: > > the script does not create symmetry mates. The "symexp" > command can create symmetry mates within a given radius (it > will not just fill up the cell). > > Maybe I just don't understand the symexp command,