[ccp4bb] OT: (a bit) shelx(pro)

2013-06-17 Thread Peter Moody
At the risk of (more) people pointing at me and laughing... I used to use SHELXPRO to get my .ins files sorted for SHELX, but that seems to have gone. How is it done now? I want to do a full-matrix refinement to get ESUs on some (specific) atoms and as far as I can remember SHELXL is the best

Re: [ccp4bb] OT: (a bit) shelx(pro)

2013-06-17 Thread George Sheldrick
Dear Peter, i am planning to produce a new pdb2ins containing several improvements, but until this is ready please continue to use the old shelxpro. Best wishes, George On 17.06.2013 16:57, Peter Moody wrote: At the risk of (more) people pointing at me and laughing... I used to use