[phenixbb] phenix.ready_set hydrogens not compatable with coot library

[Jovine Luca]

On Aug 22, 2010, at 6:51 AM, Pavel Afonine wrote:

>> After reading many posts on the phenix and coot boards I realize that the
>> hydrogens produced by phenix.ready_set are not compatable with coot.
> 
> well, may be COOT is not compatible with PHENIX: just to turn the words around to be neutral: a cool program should be compatible with everything -:)

This is absolutely true but, how about adding an option that would allow to (also) output a PDB version 2-formatted coordinate file at the end of a phenix.refine run? That way, one could read it directly into Coot for further model building, without hydrogens "exploding" at the first touch...

BTW, I think I already brought this up some time ago, but an option to output coordinate/map coefficients not only at the end of the refinement run, but also at the end of every intermediate macro cycle, would also be an useful addition to have.

Best,

Luca