# 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
           and AddPseudo 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/amber94.lib) and append
           xxx.lib.

        7. InitAll.

        8. Use PathNames to set name of new library.

        9. Check the library by executing the command
           ReadLib.

       10. Read structure.

EXAMPLE

    WriteLib /home/joe/my_res.lib

SEE ALSO

`AddAtom`, `AddPseudo`, `RemoveAtom`, `CalcBond`, `CheckBond`, `AddBond`, `RemoveBond`, `AddAngle`, `RemoveAngle`, `InitAll`, `PathNames`, `ReadLib`

DATE

980303