WriteLib

NAME

WriteLib - write entries for residue library
SYNOPSIS

WriteLib fileName
DESCRIPTION

For all selected residues that were not in the residue library or that were modified by commands like AddAtom and AddBond, write an entry for the residue library into the given file.

For working with non-standard residues, the best strategy is:

    1. Read a structure that contains the
       residue.
    2. Define bonds with the commands
       CalcBond, AddBond and RemoveBond,
       use AddAtom, RemoveAtom if necessary.
    3. Define angles with AddAngle.
    4. WriteLib xxx.lib.
    5. Edit xxx.lib if necessary (e. g.
       the atom types).
    6. Make a copy of the standard library
       ($MOLMOLHOME/setup/amber.lib) and
       append xxx.lib.
    7. InitAll.
    8. Use PathNames to set name of new
       library.
    9. Read structure.
EXAMPLE

WriteLib /home/joe/my_res.lib
SEE ALSO

AddAtom, RemoveAtom, CalcBond, CheckBond, AddBond, RemoveBond, AddAngle, RemoveAngle, PathNames

DATE

950704


Reto Koradi, kor@mol.biol.ethz.ch