[ccp4bb] TLSMD Alignments

2010-08-24 Thread Michael Thompson
Hi All, I have a question for those of you familiar with the TLSMD webserver. I am working on a structure with slightly imperfect 3-fold rotational NCS. My most recent .pdb file has been generated using Refmac (followed by a little tinkering in Coot), and during refinement I have been imposing

Re: [ccp4bb] TLSMD Alignments

2010-08-24 Thread Roberto Steiner
Dear Micheal, As you say, the effect is probably arising from the different packing environment of your NCS-related molecules. Once you've taken TLS groups into account NCS restraints might even perform better. Cheers, Roberto On 24 Aug 2010, at 21:15, Michael Thompson wrote: Hi All, I