PathNames - set path namesSYNOPSIS
PathNames string string string string string
string string string string
DESCRIPTIONSet path names for some configuration files. Normally the program reads these file from the directory $MOLMOLHOME/setup.
The following is a list of all configuration files:
AtomRadius: Contains radii for atoms. Used for
the commands CalcBond and CheckBond.
AtomCharge: Contains charges for atoms. These
are used when 'simplecharge' is referenced
in an expression for an atom.
FlipAtoms: Contains sets of atoms that can be
exchanged by the FlipAtom command.
RingShift: Contains definitions of models for
the CalcShift command.
PdbAtoms: Contains a table that is used to
translate atom names from PDB files to
atom names from the residue library.
PropDef: Contains definitons of standard
properties.
ResLib: Residue library.
MenuDir: Directory that contains menu definition
files (MenuBar, *.menu, Popup, Valuator).
ColorList: List of colors used for DialColor.
Generally the configuration files are read when
they are used the first time, and the contents is
kept in memory. This means that changing the path
only has an effect after leaving the program and
starting it again. This is always true for MenuDir.
It is also necessary for AtomRadius if the CalcBond
or CheckBond command was used, for RingShift if the
CalcShift command was used, for PdbAtoms if a PDB
file was read or written, and for ColorList if the
color dialog (DialColor) was opened.
ResLib, together with AtomCharge, is read as soon as a molecule is read from a file. To use the new definitions after ResLib has been changed, the program has to be reinitialized by using the InitAll command, and the molecules have to be read again. Just leaving the program and starting it again does not help, since the contents is stored in the molmol/dump file in the home directory. PropDef is handled in the same way.
If the file with the given path name cannot be openend, the program will silently fall back to the default file.
The special name "0" can be given for path names, in this case an empty file will be taken for the corresponding configuration file. This can be handy e. g. for PdbAtoms when you want to read a PDB file without using the normal translation for atom names.
EXAMPLE
PathNames "" "" "" "" "" "" "/home/joe/molmol/my.lib" "" ""SEE ALSO
CalcBond, FlipAtom, CalcShift, ReadPdb, DialColor, InitAll, DefProp*
DATE
960416