Re: [ccp4bb] molecule on symmetry axis

2010-10-16 Thread Nicholas K. Sauter
Phenix can refine a tartaric acid on the twofold if you set the occupancy to 0.5 AND set the custom-nonbonded-symmetry-exclusion selection to the tartaric acid. It's a new feature. Nick Sent from my iPhone Nicholas K. Sauter (510)847-1592 cell (510)486-5713 desk On Oct 16, 2010, at 1:25 AM

Re: [ccp4bb] software to represent raw reflections in hkl zones

2010-05-12 Thread Nicholas K. Sauter
Tillmann, I've added a jiffy script to synthesize pseudo-precession photos from a rotation dataset, to the latest PHENIX package. We build this package nightly, so any PHENIX bundle with a version number greater than dev-402 will workhowever I see that dev-402 is not yet on the public

Re: [ccp4bb] software to represent raw reflections in hkl zones

2010-05-05 Thread Nicholas K. Sauter
Tillmann, I wrote a little jiffy some months ago, to go from raw images to a pseudo-precession photo, in the context of labelit.index. I'll dig it out and post a link to the program... Nick Tillmann Heinisch wrote: Hi, I have problems solving the structure of a protein crystal which

Re: [ccp4bb] X-ray diffraction image -- .jpg

2009-10-21 Thread Nicholas K. Sauter
Andy, Why not try labelit.png filename output.png [-large]? Labelit is availale at http://cci.lbl.gov/labelit Nick Sauter On 10/21/2009 7:53 AM, Andy Torelli wrote: Hi everyone, Is there a free utility that can convert an x-ray diffraction image collected with an ADSC detector to a

Re: [ccp4bb] Reindexing Orthorhombic

2009-04-17 Thread Nicholas K. Sauter
set 1 solution. What is the operation to reindex such that real space is rotated 180 about z? These are in P212121. James -- Nicholas K. Sauter, Ph.D. Lawrence Berkeley National Laboratory 1 Cyclotron Road Berkeley, CA 94720 nksau...@lbl.gov Voice: 510-486-5713 Fax: 510-486-5909

Re: [ccp4bb] Unmerged output from Scala

2007-11-19 Thread Nicholas K. Sauter
anyone problems? I suspect that very few people or programs are using this file Phil Evans -- Nicholas K. Sauter, Ph.D. Lawrence Berkeley National Laboratory 1 Cyclotron Road Berkeley, CA 94720 [EMAIL PROTECTED] Voice: 510-486-5713 Fax: 510-486-5909

Re: [ccp4bb] mosflm orientation matrix and symmetry

2007-09-25 Thread Nicholas K Sauter
Bryan, I think it would be more correct to say that the orientation matrix file applies to the Bravais type (e.g., hP--hexagonal primitive). Within the Bravais type you can substitute a different space group prior to integration. Nick From: Bryan W. Lepore [EMAIL PROTECTED] does the