[ccp4bb] TLS refinement in REFMAC

2007-12-24 Thread Yogesh Gupta PhD
Dear CCP4 users, I refined my final model (protein-RNA complex) using TLS refinement in Refmac but when i am validating the coordinates I am having an issue with Bond Distances and Bond Angles of some of the bases of RNA, these values for some of the bases are higher ( >6 times) then the standard

Re: [ccp4bb] Coot 0.4 on Mac OS X 10.4

2007-12-24 Thread William Scott
Yes, Virginia, there is a Santa Coot: http://tinyurl.com/24mchk This one will work on intel, both 10.4 and 10.5. If there are any problems let me know. PPC version to follow in the next few days. It is designed to be stand-alone, and to inflexibly install into /usr/local/coot I used a gtk+2

Re: [ccp4bb] Refmac: BREFinement MIXED

2007-12-24 Thread Garib Murshudov
Hi Mark I used to do followings: Run 0 cycle of refmac with aniso refinement and then take aniso cards for atoms I want to refine aniso and put in the relevant position of the original pdb file. After that I would do mixed refinement. I should warn that I have not tested this option for a

[ccp4bb] Refmac: BREFinement MIXED

2007-12-24 Thread Mark A Saper
Hi all, I hope everyone is having a nice holiday break. I want to refine the B's anisotropically of only the selenium atoms. Does BREF MIXED option work in REFMAC? Do I need to pre-calculate the ANISOU parameters or can I just enter a blank ANISOU card? Thanks, Mark __

[ccp4bb] Christmas and New Year coverage from CCP4

2007-12-24 Thread P.J.Briggs
Dear CCP4bbers The CCP4 helpdesk at [EMAIL PROTECTED] will now effectively be unstaffed until 2nd January 2008, so our apologies in advance if you send questions to us regarding usage or bugs in the suite before then - it may take a little longer before you hear back. (There will however be some