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

[amadrona at uci.edu]

> Sorry I meant to ask if there was any way to use phenix.ready_set "old".
 I don't know the syntax but I read that it would output hydgrogens with
a nomenclature that was compatable with coot library.

Thanks

-Yarrow

hello,
>
> 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.
> Specifically, coot does not recognize HB3 and HD3 hydrogens.  When I do
> realspace refinement they fly off into space.  I have edited HB3 to read
> HB2 and HB2 to read HB1 and everything works well.
>
> I was wondering if there is a fix for this besides editing the pdb each
> time you run phenix.ready_set.
>
> Is there a way to add HB3 hydrogens to the phenix library (CCP4 library)?
>
> Thank you
>
> -Yarrow
>
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb
>
>