3.5 - PLUTON Keyboard Instruction Summary
The order of data input and instructions is fairly flexible. However, CELL, SPGR (or LATT
and SYMM) or ANGSTROM data, if any, and atomic coordinate data should preceed any
PLOT or qualifier instruction. CELL and SPGR (or LATT and SYMM) must come before
ATOM. The order and number of content, style and viewpoint instructions is completely
flexible, except for that all desired parameter values must be set before the next PLOT
instruction. An interactive graphics session will consist of a repeated cycle of qualifier and
PLOT instructions. The END line is the last instruction and may be used to finish the plot
session in an orderly fashion (see also STOP and QUIT).
By using the default settings associated with the chosen plot style (e.g. ROD) only a few of
the available instruction types are absolutely required to produce a preliminary drawing of a
structure. The absolute minimum input is a set of Angstrom coordinates, a PLOT instruction
and END to stop the program.
In the description of individual instructions below the following applies:
- (Sub)keywords are in uppercase and user data in lower case.
- Data in parentheses are optional.
- Choices are separated by a slash.
- Values in [] are default settings
- Parentheses in atom names (on input) are ignored except for that Ag denotes the atom
type and Ag() the individual atom in cases where no numerical part is associated with
the label.
-Lowercase input is automatically converted into uppercase characters except for the
content of the TITL line that is left as is.
3.5.1 - ANGLE atom-name1 atom-name2 atom-name3
The angle between the three specified atoms with atom-name2 as apex is calculated. The
three atoms are not necessarily bonded atoms, but should be present in the current atom list.
This list can be inspected with a LIST ATOMS instruction. An individual angle may be
calculated as an aid in the analysis of the geometry of the structure. Exhaustive geometry
listings may be obtained with the companion program PLATON. (See also the GEOM
instruction)
Example:
ANGLE C(2) O2 N(2)
3.5.2 - ANGSTROM (scale [1.000])
The following data are in orthogonal Angstrom units after multiplication with 'scale'. The
'scale' should be adequate in order to fit in the automatic connectivity search based on the
build-in covalent radii.
3.5.3 - ARU (color) (aru1 (aru2 ..) (resd)
This instruction adds in a cumulative fashion asymmetric residue units (ARU's) to the list of
ARU's to be drawn. It allows the user to have direct control over the list of residues to be