Re: Creating new residue types

[Azat Badretdinov <azat>]

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