Re: [ccp4bb] Problem during refinement

2009-01-26 Thread Eleanor Dodson
One possibility is this: By default, REFMAC decided something is a cis-peptide if the omega angle is 90.0 . It also reads and believes any CISPEP records you have in your input pdb. (You can turn this feature off by requesting REFMAC to only restrain to a cis peptide if you have a CISPEP

Re: [ccp4bb] more on lattice translocation defects

2009-01-26 Thread Herman . Schreuder
Dear Laurie, For copyright reasons, I would suggest that you ask the authors for a reprint or pdf. They can legally do it. Concerning lattice translocation defects, as I see it, it means that neighboring layers in a crystal are sometimes translated in one direction, sometimes in another

[ccp4bb] Job Announcement - FACULTY POSITION IN X-RAY CRYSTALLOGRAPHY

2009-01-26 Thread John Pascal
FACULTY POSITION IN X-RAY CRYSTALLOGRAPHY Department of Biochemistry and Molecular Biology Thomas Jefferson University in Philadelphia USA Job Description: The Department of Biochemistry and Molecular Biology at Thomas Jefferson University in Philadelphia invites applications for tenure-track

[ccp4bb] refmac

2009-01-26 Thread Phil Evans
I'm trying to run 2 refmac jobs at the same time (6.1.0, with updated refmac 5.5.0070) When I try to submit the second job I get the message There is already a job running which will create a file called tcN1_r15_iso_refmac1.cif You MUST give an alternative file name but I haven't

Re: [ccp4bb] brute force molecular replacement

2009-01-26 Thread Jacob Keller
Why is it called queen of spades? JPK *** Jacob Pearson Keller Northwestern University Medical Scientist Training Program Dallos Laboratory F. Searle 1-240 2240 Campus Drive Evanston IL 60208 lab: 847.491.2438 cel: 773.608.9185 email:

Re: [ccp4bb] more on lattice translocation defects

2009-01-26 Thread Gina Clayton
There is also another paper on this that may be useful... Acta Cryst. (2005). D61, 67-74. Correction of X-ray intensities from single crystals containing lattice-translocation defects. J Wang et al. Regards -Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk]