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

Jovine Luca Luca.Jovine at ki.se
Mon Aug 23 08:11:55 PDT 2010

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.



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