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Re: Creating new residue types



There is also a FAQ on this.

Andrej

Azat Badretdinov wrote:
> 
> Dera Cristian!
> 
> I must confess that I never did that myself. But i suggest that you look
> at modlib/top.lib file and create the correspondent entry
> 
> RESI ...
> 
> for your molecules.
> 
> Please refer to CHARMM documentation for more info.
> 
> This is not a lot of information but it could be useful for a start from
> the scratch.
> 
> Azat.
> 
> Christian Barrett wrote:
> >
> > Hello Modeller users,
> >
> >         I am building a homology model from a template that contains
> > hetero atoms that I don't want to include as block (BLK) residues.
> > This means that they must exist in the residue type library
> > (modlib/restyp.lib).  Before I attempt to create two new library
> > entries, I would like to know if somebody has already done this
> > for the HETATM entries that I am interested in.  They are
> >
> > FDP  (FRUCTOSE-2,6-BISPHOSPHATE)
> > and
> > AMP  (ADENOSINE MONOPHOSPHATE)
> >
> >                                 Thanks,
> >                                 Christian Barrett

--
Andrej Sali, Assistant Professor
The Rockefeller University, 1230 York Avenue, New York, NY 10021-6399
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