Re: [ccp4bb] Summary - Valid to stop Refmac after TLS refinement?

2007-04-10 Thread Ian Tickle
- Valid to stop Refmac after TLS refinement? Bernhard Rupp wrote: People also felt that the RMSD bond/angle of 0.016/1.6 was still a little high. This was subject of a discussion before on the board and I still don't understand it: If I recall correctly, even in highly accurate

Re: [ccp4bb] Summary - Valid to stop Refmac after TLS refinement?

2007-04-05 Thread Ian Tickle
Sent: 04 April 2007 21:06 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Summary - Valid to stop Refmac after TLS refinement? People also felt that the RMSD bond/angle of 0.016/1.6 was still a little high. This was subject of a discussion before on the board and I still don't

Re: [ccp4bb] Summary - Valid to stop Refmac after TLS refinement?

2007-04-04 Thread NM Burton, Biochemistry
Hello, Thanks very much to all who replied with thoughts and suggestions. The consensus was that my interpretation was not correct, and it is not valid to stop Refmac after TLS refinement. People also felt that the RMSD bond/angle of 0.016/1.6 was still a little high. Phenix.refine was

Re: [ccp4bb] Summary - Valid to stop Refmac after TLS refinement?

2007-04-04 Thread Bernhard Rupp
People also felt that the RMSD bond/angle of 0.016/1.6 was still a little high. This was subject of a discussion before on the board and I still don't understand it: If I recall correctly, even in highly accurate and precise small molecule structures, the rmsd of corresponding bonds and angles

Re: [ccp4bb] Summary - Valid to stop Refmac after TLS refinement?

2007-04-04 Thread Dale Tronrud
Bernhard Rupp wrote: People also felt that the RMSD bond/angle of 0.016/1.6 was still a little high. This was subject of a discussion before on the board and I still don't understand it: If I recall correctly, even in highly accurate and precise small molecule structures, the rmsd of