[ccp4bb] GUI program to calculate effective resolution of a data set

2014-05-28 Thread Alexandre OURJOUMTSEV
Dear All, Recently, there was a ccp4bb conversation concerning the definition of a ‘real’ (effective) resolution of (incomplete) diffraction data sets. I am happy to announce that a corresponding GUI program EFRESOL is available now and you may download it from the Web site: http://www-ibmc.u-

[ccp4bb] AW: [ccp4bb] Refmac5

2014-05-28 Thread Herman . Schreuder
Dear Remie, For reasons that probably only Garib understands, Refmac still uses LINKR instead of LINK to link atoms. However (at least for Refmac) both LINK and LINKR should work. After a lot of complaining in the past (also from my side), the handling of carbohydrates in Refmac is ok. I just

[ccp4bb] Refmac5

2014-05-28 Thread Remie Fawaz-Touma
Hello everyone, When I refine in CCP4 a structure with Glc units attached every few of them as a ligand and there are several of them in the same file, I start off with a PDB that shows the LINK records between the GLC units as LINKR because I add the links by > Extensions > Modelling > Make Li

[ccp4bb] Britton/Murray Rust plot

2014-05-28 Thread Nicholas Keep
I am confused by the Britton/Murray-Rust plots in ctruncate. My reading this morning has indicated that the "Britton" plot was actually proposed by Fisher and Sweet 1980. Treatment of diffraction data from crystals twinned by merohedry. Acta Crystallogr.A36:755--760 and plots the fraction of ne