Re: [ccp4bb]: Re: protin.dict files with automated ARP scripts

["Eleanor J. Dodson" <ccp4@ysbl.york.ac.uk>]

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Flip Hoedemaeker wrote:
> 
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> I'd like to follow up on this discussion in the arp-users list (also
> relevant for CCP4 I think:
> >
> 
> I have modified protin.dic once to include info for glycerol, but the
> documentation is not completely clear on this. Apparently there are
> separate tables for bonds, angles, torsion, angles chiral centres etc
> but these are not labeled as such. I also missed these labels in the
> MAKEDICT output, so it took some fiddling to get it all right. Have I
> missed something or could this documentation be improved?
> 
> Flip
> 


 Oh Flip - this is awful I agree.. There is documentation on the
dictionary in protin.html but it is opaque to say the least!

 Garib/Alexei are working hard to replace PROTIN with a more flexible
and easier to comprehend dictionary so it is a bit pointless to put a
lot of effort into makedict or protin.


However you are right - there are seperate tables for bonds+angles; 
chirality and planarity.

The torsion table is pretty unimportant and I usually dont create one of
those:

The bonds+angles table is created by MAKEDICT, but you have t produce
your own chirality and planes list. I use a template from one of the
other examples!

 Eleanor