Re: [ccp4bb] CNS compliant addition of hydrogens to structure?

2012-07-17 Thread Edwin Pozharski 


Oh, I know this one.  It's called CNS :)

You probably have
to set 

hydrogen_flag=true
in the generate.inp script - it's false by default.  If some other
atoms are missing and you want to keep it that way, use 


atom_build=(hydrogen)

Cheers,

Ed.

> Anyone know of a util that'll
add hydrogens in a naming scheme consistent
> with CNS? (reduce
doesn't do this).
> 
> 
> Thanks!
> 
> F
> 
> 
> 
> 
>
-
> Francis E. Reyes
PhD
> 215 UCB
> University of Colorado at Boulder
> 


-- 
Edwin Pozharski, PhD
University of
Maryland, Baltimore

[ccp4bb] CNS compliant addition of hydrogens to structure?

2012-07-17 Thread Francis E Reyes 
Anyone know of a util that'll add hydrogens in a naming scheme consistent with 
CNS? (reduce doesn't do this). 


Thanks!

F




-
Francis E. Reyes PhD
215 UCB
University of Colorado at Boulder