Dear xplor-nih users, How much inter-residue (long-range) forces are included in the Delphic torsions term by default? I wish to use as much as possible. Do I have to load the file "torsions_quarts/4D_quarts_inter_new.tbl" manually? - any reason why it (as far as I can tell) is not turned on by default? speed issues?. How is the compatibility with the "residue affinity potential"? is it advisable to use both this "residue affinity potential" and the delphic torsions potential?
best regards, Jakob Citing Charles at schwieters.org: > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > > Hello Xiaogang-- > >> >> ???? Is there an easy way to make a series of? stuctures generated by xplor >> into one ensemble pdb? >> > > Try the following script. Use it like this: > > ./combineModels.py *.pdb > combined.pdb > > best regards-- > Charles > > -- Jakob Toudahl Nielsen, post doc Laboratory for Biomolecular NMR Spectroscopy inSPIN, Center for Insoluble Protein Structures Department of Chemistry, University of Aarhus Langelandsgade 140, DK-8000 Aarhus C, Denmark Phone: +458942 5528 or +452993 8502 (cell)
