[ccp4bb] CCP4i has no longer control of the current database

2010-05-07 Thread Zsolt Bocskei
Dear BB, Using scala in version 6.1.3 via ccp4i 2.0.6 on a linux box I run into the following Database Access Failure message: This instance of CCP4i no longer has control of the current database. This is probably because another CCP4i is running and has taken control of the database over

Re: [ccp4bb] Motif searching

2010-05-07 Thread Sameer Velankar
Dear Rex, PDBeMotif is an opensource search tool which works with many motifs as 3D structural as sequence, it can search for ligand environment and perform 3D search for similar cliffs in proteins. The tool creates a relational database, it has a data loader and a search interface. The

Re: [ccp4bb] lossy compression of diffraction images

2010-05-07 Thread H. Raaijmakers
James, caseB was lossy compressed. It is 10% smaller when compressed (gzip, bzip2), so it contains significantly less information. cheers, Hans James Holton schreef: Ian Tickle wrote: I found an old e-mail from James Holton where he suggested lossy compression for diffraction images (as

Re: [ccp4bb] lossy compression of diffraction images

2010-05-07 Thread James Holton
So far I have gotten several votes based on the lossless compression ratio of the images, but, before I reveal the answer to the CCP4BB I remind everyone that the LOSSY compression ratio of the compressed images is 34-fold! So bzip2 and gzip are now incredibly inefficient methods of storage

[ccp4bb] Geometry refinement problem in Coot

2010-05-07 Thread S. James Remington
We would like to use Coot to fix up the geometry between the backbone and the covalently bound chromophore within GFP variants, but our efforts to convince Coot to connect the polypeptide and the chromophore have thus far failed. This includes using MAKECIF to generate a new geometry library

Re: [ccp4bb] Unusually low B factors after refinement

2010-05-07 Thread Miller, Mitchell D.
Hi Kyle, Are you refining with TLS? If so, then the default output will be the residual B-factors. To get the full B-factors you need to add the TLS component to the residual B's. This can be done by re-running your refmac job with the keyword TLSO ADDU Note that this version of refmac will