Re: [ccp4bb] issues running PANDDA with anisotropic data

2022-10-03 Thread Marcin Wojdyr
> > My scripting is not great so I wondered if anyone could hep me with a short > script to recursively look for ‘refine.mtz’ within subdirectories from the > top-level ‘model-building’ directory and then run CAD to change the column > names from 2FOFCWT-iso-fill and PH2FOFCWT_iso-fill to

Re: [ccp4bb] issues running PANDDA with anisotropic data

2022-10-03 Thread Frank von Delft
Hi Charlie - that's quite a technical question, so I suggest you ask the question on the xchembb (use The Google to find it), in case someone has that script to hand. (But if you need to do any scripting, chances are you'll need to spend a few days on the Google anyway, even if someone can

Re: [ccp4bb] issues running PANDDA with anisotropic data

2022-09-27 Thread Nichols, Charlie
Dear All, Having some difficulty running PANDDA with a large batch of structures with significantly anisotropic data: 1. We have to use Autoproc / Staraniso processing for all datasets. 2. The default Dimple (Refmac) pipeline gives weird maps with large areas of -ve density for no