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RE: protein structure file (psf)

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,




-----Original Message-----
From: [mailto:]On Behalf Of Nitin Rathore
Sent: Monday, January 21, 2002 7:10 PM
Subject: protein structure file (psf)

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,