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