Re: [ccp4bb] determining "best" of alternative indexes with POINTLESS

2014-01-17 Thread Phil Evans
On inspecting the code, it turns out that this is not much a bug as a feature. I will try to make it an ex-feature, but it will take a little work The work-around is to convert the .sca file to MTZ first, using scalepack2mtz. Note that a merged Scalepack file (unlike an unmerged one) does contai

Re: [ccp4bb] determining "best" of alternative indexes with POINTLESS

2014-01-16 Thread Phil Evans
Indeed that is a bug. I've never tried that combination before. I'll fix it Phil On 16 Jan 2014, at 20:32, wtempel wrote: > Hello, > using merged scalepack intensities and a reference MTZ file as inputs, I > would like to prepare an MTZ of scalepack intensities reindexed so that the > intensi

[ccp4bb] determining "best" of alternative indexes with POINTLESS

2014-01-16 Thread wtempel
Hello, using merged scalepack intensities and a reference MTZ file as inputs, I would like to prepare an MTZ of scalepack intensities reindexed so that the intensities optimally correspond to those in the reference MTZ file. Invoking POINTLESS with the CELL, SCAIN, HKLREF keywords results in CCP