To be converted to cartesians and the changes to take affect in the Such as xterm can be copied to this field by clicking in itĪpply Changes to current Z-mat button will cause the Z-matrix (Also any text selection you have made from other active programs a thick rectangle is drawn around it to signal that it is active Īny typing you do now will effect this variable.Of a variable and to high-light the atoms which are involved in this In the variables editing window color is used to indicated the Status Third atom is connected to the first two by just a bond distance and Of course the first atom in the Z-matrix has no previously definedĪtoms to refer to and is the origin if you like, the second atom isĪlways connected to the first atom by just a bond distance variable, and the The two planes constituted by atoms (Carbon-5-4) and (5-4-3) make an.Vector from atom number 5 to atom number 4 make a The vector from the Carbon atom to atom number 5 and the.is connected to atom number 5 with a Bond Distance.The variables: bond distance, bond angle and dihedral/torsion angle.The connectivity: 3 (or 4) atom sequence numbers (Blue).Is defined with respect to three previously defined atoms.Įach Z-matrix line (except the first three) consists of the following fields: In the Z-Matrix approach the position of each atom (except the first three) The Variables/Connectivity editing window
Create a new Z-Matrix for the current structure in a user-supplied sequence of atoms.The status of variables: Variable, Constant, Linked.Map an XYZ file to the current Z-Matrix or Optimise the current Z-Matrix on the force field level.
The Variables/Connectivity editing window.Start up Ab Initio/Semi Empirical packages from this window.īelow is a Clickable Map of the Z-Matrix Editor: Z-matrix file or as a variety of cartesian formats. Additional helper applications may be used to optimise The Z-Matrix Editor in molden lets the user create and/or manipulate
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