WriteLib

WriteLib - write entries for residue library

WriteLib fileName

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.

WriteLib /home/joe/my_res.lib

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

DATE

980303