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 tel +1 212 327 7550; lab +1 212 327 7206 ; fax +1 212 327 7540 e-mail sali@rockvax.rockefeller.edu; http://salilab.org