Dear
Nitin,
Please
check out these commands:
This command writes the
current MODEL to a file in the selected format. If the file format is
'PDB', only the selected atoms are
written out when WRITE_ALL_ATOMS = off; otherwise all atoms are written out.
especially this one:
This command writes the selected types of data about the MODEL to a
corresponding file.
This command writes a residue topology library to the specified file.
This command writes the correspondence between the PDB residue numbers and
residue indices for the selected part of the MODEL.
Thank you,
Bozidar
MODELLER Team
*****************************************
Hi,
I am a new MODELLER user. I am interested in
generating a structure file of the protein of my interest.I was wondering, if there is a way in MODELLER to write down
a "CHARMM like .psf " file that lists all the bonds, bends, dihedrals,
improper dihedrals etc ( for an all atom model, including hydrgens).
Supposedly, the "BUILD MODEL" only generates the 3 D coordinates of the atoms
in the model, based on the specified sequence of amino acid and the CHARMM
topology and parameter file. But I can not figure out how to output a psf,
structure file of my model protein.
Looking for some help,
Thanks in advance,
Nitin